data_1v5m_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 1v5m _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 ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -62.05 115.56 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -71.03 -46.46 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.42 HH22 ' NE2' ' A' ' 117' ' ' GLN . 17.9 ttt-85 -164.87 146.35 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -146.38 135.11 22.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.71 165.63 36.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.45 108.24 19.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.16 172.19 13.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.57 148.28 23.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -138.56 152.31 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 4.4 ptp -153.67 150.23 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -109.21 130.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.1 104.56 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.6 m95 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -116.57 142.85 46.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 127.95 34.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.5 p -157.55 163.92 37.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -116.45 122.06 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.591 ' CD2' ' CZ3' ' A' ' 121' ' ' TRP . 13.2 tp -90.36 118.89 30.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.7 tp -122.95 112.82 18.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 2.5 tt -100.56 107.19 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -137.28 148.31 46.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.534 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 6.9 ptp180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.534 ' CD1' ' HA ' ' A' ' 51' ' ' ARG . 12.5 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -158.26 127.72 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.488 HD22 ' CD2' ' A' ' 77' ' ' LEU . 2.6 mm? -88.95 135.38 33.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -122.46 131.08 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.1 m-85 -115.27 80.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.75 105.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -128.21 108.58 19.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 111.154 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.21 64.53 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.331 -0.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.58 7.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.387 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -104.23 -4.74 22.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 150.83 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -30.56 66.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -126.5 154.65 75.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.74 43.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.736 2.291 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -83.4 -48.38 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.8 t -116.72 59.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.2 p -70.55 104.67 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 60.7 mt -111.85 134.97 21.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.28 66.66 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.725 2.284 . . . . 0.0 112.37 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.488 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.05 -16.09 63.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -75.61 -29.94 59.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -61.48 -41.19 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.11 125.21 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.25 -19.3 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -168.15 132.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.534 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.4 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.892 0.377 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.9 p -152.96 149.52 28.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.0 p90 -155.83 151.8 27.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 17.7 t -102.61 145.51 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.561 HD21 ' CD1' ' A' ' 98' ' ' PHE . 23.3 mt -120.96 106.67 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -93.42 115.7 28.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 106' ' ' ALA . 4.4 m -93.65 -177.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.9 pt-20 -78.92 -10.26 59.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.21 30.53 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 45.5 59.11 4.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.445 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -139.44 128.1 23.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.733 0.301 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 41.5 mt-10 -105.1 132.62 51.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -118.53 101.79 8.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.469 ' HB ' ' CG ' ' A' ' 27' ' ' MET . 78.2 mt -79.17 114.76 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.7 mp -110.73 157.3 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -136.54 114.77 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.8 p -93.52 179.65 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.1 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.22 -71.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 14.7 p-10 -137.03 175.82 9.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 p -51.44 -18.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -72.77 -48.78 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.42 ' NE2' HH22 ' A' ' 20' ' ' ARG . 4.1 mm100 -70.26 -49.5 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -46.27 -69.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -40.46 -58.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.4 t -40.97 -60.4 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.591 ' CZ3' ' CD2' ' A' ' 47' ' ' LEU . 39.2 m95 -44.58 -57.92 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -45.38 -28.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.25 -42.02 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.444 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 19.8 m-20 -61.55 -36.77 81.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.9 mt -78.35 -56.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.534 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 11.6 mm100 -57.6 -36.43 71.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.51 -22.99 68.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.4 m -93.74 -53.91 3.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.38 109.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -78.8 -44.87 22.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -159.05 141.84 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 1.4 tm-20 -147.2 121.56 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.07 -175.35 20.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.62 92.99 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' CD1' HG21 ' A' ' 112' ' ' THR . 0.1 OUTLIER -124.23 173.31 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -95.68 139.01 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -125.91 164.17 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.7 ptp -157.72 160.02 37.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.2 t -121.48 123.78 70.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 104.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.492 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 98.5 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.704 0.288 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -116.47 125.37 51.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -58.44 133.54 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.1 p -158.57 172.85 17.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -124.34 115.07 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.558 HD22 ' CE3' ' A' ' 121' ' ' TRP . 11.6 tp -86.58 123.32 31.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.9 tp -128.17 119.64 25.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 HD22 ' C ' ' A' ' 49' ' ' LEU . 3.6 tt -103.17 99.03 8.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -115.04 148.15 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.604 ' CE2' ' SG ' ' A' ' 128' ' ' CYS . 12.4 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.882 0.373 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -153.88 127.33 8.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.58 140.23 30.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -128.47 124.54 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -107.26 79.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -60.92 104.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.1 t -127.36 115.6 21.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 111.166 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.53 57.76 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.354 -0.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 3.26 2.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -109.74 0.59 18.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.76 148.23 31.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.4 m -75.03 -32.8 61.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -111.2 147.11 35.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 142.75 48.96 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.446 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 40.6 tttp -86.8 -47.71 8.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.06 66.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.0 p -75.36 100.83 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 76' ' ' PRO . 78.2 mt -110.95 136.24 20.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.576 0.703 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.416 ' N ' HG23 ' A' ' 75' ' ' ILE . 53.7 Cg_endo -69.82 150.64 68.09 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HB2' ' C ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -65.76 -17.82 64.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.2 p -72.74 -35.73 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -56.47 -42.78 78.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.9 mm -58.04 123.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.57 -22.93 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -162.38 142.11 9.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.474 HG13 ' CG ' ' A' ' 126' ' ' GLN . 7.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.979 0.418 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 p -145.14 148.86 34.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.549 ' CD1' HD22 ' A' ' 100' ' ' LEU . 11.1 p90 -151.12 152.62 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 33.8 t -109.16 134.93 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.549 HD22 ' CD1' ' A' ' 98' ' ' PHE . 8.8 mt -110.92 109.67 19.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -98.08 110.94 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.7 m -82.32 175.01 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.0 pt-20 -69.5 -30.04 67.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.4 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 10.9 m-20 -70.49 -15.59 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.21 53.88 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.1 126.28 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.471 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 17.5 mt-10 -95.64 129.49 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -116.78 97.2 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.406 ' C ' HD13 ' A' ' 110' ' ' LEU . 20.3 mt -79.86 115.86 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 109' ' ' ILE . 7.8 mp -110.91 152.39 26.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.492 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 31.6 tt0 -121.29 107.66 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.445 HG21 ' CD1' ' A' ' 24' ' ' LEU . 25.8 p -87.62 175.66 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.91 -67.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -143.18 167.59 21.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 t -41.79 -29.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.65 -51.82 66.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -67.27 -47.55 70.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -46.87 -64.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -47.4 -52.01 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 124' ' ' ASP . 1.7 m -45.67 -43.64 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.558 ' CE3' HD22 ' A' ' 47' ' ' LEU . 48.3 m95 -68.63 -60.18 2.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -38.71 -46.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.06 -50.4 64.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 120' ' ' SER . 28.7 m-20 -52.08 -37.06 52.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.8 mt -83.81 -63.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.474 ' CG ' HG13 ' A' ' 83' ' ' VAL . 9.2 mt-30 -46.17 -36.91 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.59 -37.83 68.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.604 ' SG ' ' CE2' ' A' ' 58' ' ' PHE . 90.4 m -76.15 -32.78 59.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' CYS . 40.3 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.773 0.32 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -52.34 116.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -86.78 -48.24 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' CD ' ' HB3' ' A' ' 120' ' ' SER . 26.6 ttm-85 -161.41 140.71 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -148.27 126.8 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.89 -176.75 20.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.79 101.09 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.37 173.64 11.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -95.76 141.41 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CE1' HG23 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -125.71 155.65 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.8 ptp -151.04 162.43 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.2 t -123.98 126.16 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.71 104.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.1 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.761 0.315 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -129.55 130.4 45.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -60.92 129.24 40.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.413 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 24.2 p -158.7 169.22 24.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.457 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 37.2 ttt180 -120.05 119.1 32.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.559 HD22 ' CE3' ' A' ' 121' ' ' TRP . 12.8 tp -89.5 116.72 27.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 tp -119.57 117.99 29.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.511 ' CD2' ' CD2' ' A' ' 58' ' ' PHE . 3.5 tt -101.68 98.11 8.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -114.26 158.69 21.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.528 ' CE1' ' SG ' ' A' ' 128' ' ' CYS . 5.8 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -157.95 120.52 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.485 ' CD2' HD23 ' A' ' 77' ' ' LEU . 3.2 mm? -85.15 154.25 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -138.98 121.4 16.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.5 m-85 -103.39 86.08 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.0 109.08 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.535 HG23 ' CE1' ' A' ' 26' ' ' PHE . 2.3 t -128.0 111.57 20.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 170.18 59.62 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.317 -0.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.457 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.8 3.6 2.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.334 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -114.88 5.75 15.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.5 166.33 23.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -84.86 -34.76 22.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -120.53 151.69 54.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 149.41 67.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.282 . . . . 0.0 112.349 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -95.49 -45.36 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.9 t -124.95 67.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 m -74.08 111.28 9.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.7 mt -111.93 132.7 21.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 147.84 63.66 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.485 HD23 ' CD2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -70.09 -23.04 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -71.31 -31.49 67.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.4 87.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.416 HD11 ' CG1' ' A' ' 102' ' ' VAL . 47.1 mm -60.14 123.91 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 pt -118.19 -36.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -143.87 134.14 24.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.486 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 2.3 p-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.918 0.389 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 p -138.09 154.63 49.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.9 p90 -153.73 146.98 24.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.13 140.69 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.438 HD22 ' CD1' ' A' ' 98' ' ' PHE . 25.7 mt -109.96 105.85 15.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.6 99.83 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.416 ' CG1' HD11 ' A' ' 80' ' ' ILE . 8.0 m -77.36 176.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -70.42 -39.26 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -60.26 -23.33 64.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 98.57 51.75 1.39 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.8 129.43 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -100.49 124.12 45.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -114.99 97.28 6.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.417 ' C ' HD12 ' A' ' 110' ' ' LEU . 42.9 mt -77.47 116.24 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.087 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.5 mp -111.45 140.62 45.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.503 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 39.9 tt0 -110.92 103.17 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.6 p -78.06 172.17 13.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.36 -63.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.85 167.72 20.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.9 p -45.18 -54.32 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 mt -43.07 -43.46 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -67.52 -47.49 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' A' ' 118' ' ' LYS . 1.2 ttpm? -51.3 -69.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -43.15 -48.08 6.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.421 ' HB3' ' CD ' ' A' ' 20' ' ' ARG . 1.7 m -50.36 -49.85 52.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.559 ' CE3' HD22 ' A' ' 47' ' ' LEU . 51.8 m95 -60.09 -54.51 45.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.8 t -48.48 -37.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.3 -49.08 29.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.415 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -57.07 -33.91 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 44.1 mt -82.29 -61.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -54.88 -31.41 59.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.46 -24.38 76.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.528 ' SG ' ' CE1' ' A' ' 58' ' ' PHE . 64.4 m -91.81 -51.74 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 128' ' ' CYS . 2.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.787 0.327 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -57.78 102.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.053 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -64.27 -47.89 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -161.77 147.48 13.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.18 123.76 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.35 -178.63 28.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.27 115.1 23.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.08 172.99 12.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -95.06 149.25 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -135.26 154.27 51.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.527 ' HE1' ' CD1' ' A' ' 42' ' ' TRP . 5.7 ptp -150.96 155.76 39.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -114.48 128.37 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.22 101.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 p30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 67.6 m95 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.692 0.282 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -138.36 122.36 17.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -56.6 131.97 50.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.415 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 4.1 p -158.37 174.98 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.464 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 30.1 ttm180 -126.3 119.95 28.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.48 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 11.5 tp -86.64 117.62 25.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 tp -115.3 120.27 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD22 ' CD1' ' A' ' 58' ' ' PHE . 2.3 tt -114.06 99.99 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -136.72 157.89 45.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 14.7 mmm-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.571 ' CE2' ' SG ' ' A' ' 128' ' ' CYS . 8.7 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.886 0.375 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -158.25 125.93 5.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 77' ' ' LEU . 1.1 mm? -94.76 133.6 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -122.86 127.63 49.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.5 m-85 -105.98 86.22 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -69.02 109.09 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' A' ' 65' ' ' PRO . 3.1 t -126.89 104.97 22.91 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.659 0.742 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.81 170.21 59.83 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.328 -0.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.464 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.8 1.51 4.4 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.64 2.227 . . . . 0.0 112.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -118.0 8.39 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.25 179.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.8 p -89.0 -26.55 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -143.46 155.44 60.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.22 39.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -80.9 -46.96 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.448 ' CG1' HD11 ' A' ' 75' ' ' ILE . 40.3 t -119.43 63.06 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.6 p -72.75 98.96 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.448 HD11 ' CG1' ' A' ' 73' ' ' VAL . 69.0 mt -109.56 134.96 20.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.729 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 150.23 68.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.492 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.48 -15.31 62.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -80.26 -30.65 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.13 95.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.6 mm -59.65 113.46 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.472 HD13 ' CD ' ' A' ' 101' ' ' LYS . 1.1 pt -99.05 -35.01 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -153.63 141.86 20.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.476 HG12 ' CG ' ' A' ' 126' ' ' GLN . 7.2 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.455 ' C ' ' OD1' ' A' ' 96' ' ' ASN . 2.3 p-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.4 p -140.78 179.8 6.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.8 p90 -170.06 144.05 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 16.9 t -100.1 134.97 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.48 102.97 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.952 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.472 ' CD ' HD13 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -90.28 107.59 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.434 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 2.8 m -87.08 178.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -67.77 -25.13 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' GLY . 4.4 m120 -89.13 37.54 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 37.27 62.17 0.92 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.515 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.434 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -135.11 126.02 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 73.6 mt-10 -102.0 132.8 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -119.51 102.65 8.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.497 HG23 ' CH2' ' A' ' 42' ' ' TRP . 62.3 mt -84.72 106.02 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.7 mp -105.77 140.03 39.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.561 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 19.7 tt0 -110.53 111.97 23.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 62.5 p -95.03 174.35 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.474 HG13 ' NE2' ' A' ' 117' ' ' GLN . 26.5 mm -42.46 -75.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -152.25 176.56 11.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.2 p -39.82 -32.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.45 -61.15 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.474 ' NE2' HG13 ' A' ' 113' ' ' ILE . 25.6 mt-30 -70.92 -39.52 72.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -53.92 -58.38 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.49 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.3 t60 -58.35 -30.09 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 p -68.87 -43.98 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.48 ' CZ2' ' HB3' ' A' ' 47' ' ' LEU . 33.5 m95 -62.59 -58.68 6.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.4 t -45.41 -44.07 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.38 78.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -59.22 -40.77 86.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 68.9 mt -74.14 -63.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.476 ' CG ' HG12 ' A' ' 83' ' ' VAL . 19.6 mt-30 -52.75 -36.05 57.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.5 -15.53 70.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.571 ' SG ' ' CE2' ' A' ' 58' ' ' PHE . 17.0 m -95.41 -54.62 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.37 113.75 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.652 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 4.0 mt-30 -81.41 -55.13 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -146.02 141.99 28.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -149.74 118.91 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.65 177.77 27.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.445 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.83 94.33 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.94 172.21 8.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -95.42 146.65 24.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CE1' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -134.42 152.45 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 ptp -154.05 154.44 33.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.0 t -116.08 127.8 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.65 102.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 78.1 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -126.76 123.4 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -55.12 134.84 49.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.424 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 10.2 p -158.83 171.39 20.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 56.9 ttp85 -123.5 113.49 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.574 HD23 ' CE3' ' A' ' 121' ' ' TRP . 12.6 tp -83.89 117.74 23.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 tp -125.57 118.69 26.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.636 ' CD2' ' CD1' ' A' ' 58' ' ' PHE . 2.2 tt -108.2 111.92 24.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -132.0 160.2 36.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.887 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CZ ' ' CD ' ' A' ' 19' ' ' GLN . 11.2 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -156.87 127.96 6.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 77' ' ' LEU . 2.0 mm? -89.77 133.29 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -123.05 127.17 48.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.6 m-85 -107.54 90.08 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -76.78 108.62 9.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.563 HG23 ' CE1' ' A' ' 26' ' ' PHE . 3.4 t -129.6 113.71 17.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 170.39 58.36 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.379 -0.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.452 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.75 3.01 3.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.47 11.66 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.68 165.26 25.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -92.17 9.47 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -167.26 151.18 6.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 155.48 65.92 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -106.23 -41.92 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.0 t -126.88 63.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -74.76 114.46 13.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 76' ' ' PRO . 61.2 mt -121.95 134.34 24.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.706 0.765 . . . . 0.0 111.068 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.413 ' N ' HG23 ' A' ' 75' ' ' ILE . 53.1 Cg_endo -69.8 146.61 60.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -54.16 -41.11 68.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 t -54.1 -37.51 64.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.72 -42.72 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.462 HD12 ' CG1' ' A' ' 102' ' ' VAL . 33.4 mm -65.6 129.36 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.6 -30.63 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -151.83 142.66 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.513 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.7 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.4 p -142.56 147.93 36.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 4.5 p90 -151.32 147.82 27.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 41.6 t -101.65 135.97 35.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.148 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.56 104.95 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -95.48 102.45 14.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.462 ' CG1' HD12 ' A' ' 80' ' ' ILE . 4.5 m -79.58 178.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -24.21 63.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -86.03 30.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.06 59.88 3.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.448 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -137.58 122.2 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.461 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 19.3 mt-10 -96.52 135.08 38.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.424 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 70.6 m-85 -122.37 95.39 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.413 ' C ' HD12 ' A' ' 110' ' ' LEU . 40.0 mt -76.11 111.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 110' ' ' LEU . 8.6 mp -109.66 142.28 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 31.6 tt0 -114.18 108.47 17.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -83.78 -177.03 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.3 mp -67.32 -58.76 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -149.87 177.93 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 89.5 p -57.24 -23.49 48.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.2 mp -69.48 -39.53 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -83.4 -37.86 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -58.56 -65.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -46.4 -42.55 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -61.01 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.574 ' CE3' HD23 ' A' ' 47' ' ' LEU . 30.7 m95 -61.63 -62.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.7 t -39.63 -33.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.97 -49.4 45.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.405 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 43.3 m-20 -52.86 -35.01 56.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.93 -67.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.513 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 10.7 mm100 -48.95 -32.3 8.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.07 -41.31 92.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 129' ' ' VAL . 41.1 t -82.62 -54.69 4.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 128' ' ' CYS . 51.5 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.7 mt -77.86 131.94 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.407 ' CG ' ' CE1' ' A' ' 58' ' ' PHE . 8.0 mm100 -95.54 -47.26 6.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -162.53 139.31 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -147.44 131.22 16.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.57 32.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.75 97.72 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' CYS . 0.1 OUTLIER -133.74 173.58 11.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 42' ' ' TRP . 28.0 mtm180 -93.57 154.57 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE1' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -143.25 146.82 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.424 ' HE3' ' CD1' ' A' ' 42' ' ' TRP . 6.0 ptp -144.26 154.96 43.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.83 131.12 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.42 102.87 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 43.9 m95 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.739 0.304 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -135.23 129.16 33.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -61.39 130.06 44.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.408 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 8.6 p -158.84 173.49 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 46.9 ttt180 -123.31 112.35 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.573 HD22 ' CE3' ' A' ' 121' ' ' TRP . 21.3 tp -83.96 113.32 20.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 tp -119.4 126.43 51.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tt -106.5 97.55 7.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -111.16 153.6 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 7.3 ttm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.486 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 10.3 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.887 0.375 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -157.4 131.08 8.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.49 HD23 ' CD2' ' A' ' 77' ' ' LEU . 2.2 mm? -92.46 150.96 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -134.55 131.09 37.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.4 m-85 -116.17 88.35 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.41 ' C ' HG21 ' A' ' 64' ' ' VAL . 94.0 m-85 -72.56 113.01 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.434 HG23 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -133.68 107.76 11.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.78 170.79 56.85 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.295 -0.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.4 Cg_endo -69.73 -0.86 7.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.84 -17.85 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.45 139.9 58.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -69.16 -33.47 73.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -108.52 143.54 27.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 143.4 50.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -83.17 -48.31 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.94 66.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.0 p -73.65 101.2 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.6 mt -105.55 133.19 20.3 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.649 0.738 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 147.62 62.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.302 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.49 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -64.09 -21.1 66.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 t -73.39 -32.65 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.27 86.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.3 mm -58.0 130.47 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.33 -30.1 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -157.8 140.11 14.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.472 HG13 ' CG ' ' A' ' 126' ' ' GLN . 7.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.931 0.396 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.3 p -135.33 157.83 45.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 23.2 p90 -160.83 145.79 14.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.9 136.03 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.4 mt -110.35 105.9 15.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -95.36 101.28 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 4.0 m -76.75 177.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.02 -22.53 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -88.25 34.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.92 61.39 1.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.458 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -139.64 122.44 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -97.55 136.42 37.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.421 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 68.3 m-85 -124.14 97.02 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.538 HG22 ' CH2' ' A' ' 42' ' ' TRP . 46.2 mt -77.27 116.5 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 8.0 mp -114.5 146.01 41.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 30.5 tt0 -124.02 113.05 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.2 p -86.06 -177.3 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.204 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.74 -65.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -134.05 174.04 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 51.9 p -60.25 -25.71 65.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.01 -39.02 79.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -80.93 -26.97 36.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 96' ' ' ASN . 2.8 tmtt? -70.55 -62.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.467 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -41.88 -42.4 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 4.5 t -56.96 -50.18 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.573 ' CE3' HD22 ' A' ' 47' ' ' LEU . 47.3 m95 -53.37 -63.5 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.5 t -41.55 -40.42 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.68 -42.25 64.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.32 -40.26 89.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.68 -65.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.472 ' CG ' HG13 ' A' ' 83' ' ' VAL . 11.3 mt-30 -48.2 -38.51 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.9 -40.94 95.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 129' ' ' VAL . 82.5 m -76.79 -44.85 31.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 128' ' ' CYS . 42.2 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mt -64.98 138.13 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.452 ' CG ' HD22 ' A' ' 49' ' ' LEU . 10.9 mm100 -94.1 -38.11 11.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -171.83 135.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -137.16 133.17 34.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.98 166.23 32.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.71 100.2 10.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -130.7 173.49 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -99.66 151.49 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CB ' ' HG ' ' A' ' 110' ' ' LEU . 1.5 p90 -140.99 158.93 43.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.503 ' HE1' ' CE2' ' A' ' 42' ' ' TRP . 9.9 ptp -152.24 162.13 41.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.78 133.2 65.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.41 104.08 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CE2' ' HE1' ' A' ' 27' ' ' MET . 97.1 m95 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.756 0.312 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -121.55 128.9 52.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -57.3 130.14 44.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 8.2 p -154.31 165.57 35.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 54.0 ttt180 -118.01 112.55 20.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.487 HD12 ' CD1' ' A' ' 60' ' ' LEU . 10.1 tp -84.25 122.5 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.9 tp -126.11 111.73 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.452 HD22 ' CG ' ' A' ' 19' ' ' GLN . 4.6 tt -95.36 97.8 10.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -100.16 159.2 15.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.517 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 1.7 ttp180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.517 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 11.8 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -150.71 132.57 15.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' CD1' HD12 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -107.5 134.64 50.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -120.59 149.25 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.4 m-85 -130.55 91.01 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -73.19 122.08 21.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.475 ' HB ' ' CD ' ' A' ' 72' ' ' LYS . 1.6 t -142.56 108.36 5.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.2 Cg_endo -69.79 170.28 59.4 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.327 0.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.453 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.79 1.11 4.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -10.16 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.76 148.26 44.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.039 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.0 t -75.9 -29.07 58.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -113.1 146.2 34.7 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.596 0.713 . . . . 0.0 110.818 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.42 35.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 56.8 tttt -82.37 -44.62 15.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.8 t -122.09 66.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.9 p -67.69 118.25 10.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.5 mt -119.7 110.68 36.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.87 31.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.451 HD13 ' CA ' ' A' ' 129' ' ' VAL . 0.4 OUTLIER -50.69 -28.66 9.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 t -62.57 -29.95 70.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.0 -35.1 57.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.44 138.23 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.62 -35.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.71 130.95 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.0 p -144.86 161.18 39.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 11.5 p90 -158.75 137.39 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 60.5 t -97.3 144.95 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.2 mt -110.01 103.3 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.22 101.4 14.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.41 ' CG2' ' O ' ' A' ' 106' ' ' ALA . 1.7 m -82.87 160.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.25 -28.07 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -65.56 -29.58 70.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 110.24 10.84 21.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.41 ' O ' ' CG2' ' A' ' 102' ' ' VAL . . . -99.02 135.59 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 111.136 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 3.2 mp0 -106.52 140.95 38.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -126.28 107.65 10.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 31.0 mt -86.56 109.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -105.57 142.63 34.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.1 145.28 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 113' ' ' ILE . 36.0 p -125.89 154.9 42.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 112' ' ' THR . 47.5 mt -33.4 -63.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.432 ' CG ' HG23 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -146.25 -177.58 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.6 p -57.78 -30.92 66.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.47 ' HG ' ' N ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -61.73 -42.02 98.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.47 ' N ' ' HG ' ' A' ' 116' ' ' LEU . 20.7 mt-30 -73.88 -42.3 60.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -55.4 -69.39 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -42.42 -42.7 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.404 ' O ' ' OD1' ' A' ' 124' ' ' ASP . 1.6 m -55.57 -54.96 37.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.414 ' HA ' ' OD1' ' A' ' 124' ' ' ASP . 40.8 m95 -53.71 -61.3 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.9 t -39.96 -34.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.11 -57.94 5.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.434 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -56.62 -50.71 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.05 -64.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -53.37 -54.45 36.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -46.21 -19.26 0.38 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 86.4 m -95.11 -56.12 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.451 ' CA ' HD13 ' A' ' 77' ' ' LEU . 4.1 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -54.3 98.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -44.74 -63.24 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -152.64 166.06 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -153.93 141.47 19.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.29 164.22 35.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.535 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.89 105.17 14.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.22 173.46 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 25' ' ' ARG . 2.7 mpt_? -91.09 144.91 25.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.542 ' CZ ' HG22 ' A' ' 64' ' ' VAL . 1.1 p90 -128.91 158.87 37.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.47 ' HE3' ' CE2' ' A' ' 42' ' ' TRP . 5.8 ptp -160.36 163.18 33.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.5 t -121.18 143.4 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.47 111.31 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.481 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 95.5 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.756 0.312 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -123.01 134.25 54.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -59.35 127.51 32.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.448 ' CB ' HG23 ' A' ' 64' ' ' VAL . 2.6 p -157.69 167.83 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 46.3 ttt180 -117.28 120.62 38.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.544 HD23 ' CE3' ' A' ' 121' ' ' TRP . 15.0 tp -90.21 114.53 26.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.3 tp -116.34 130.99 57.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD2' ' CD2' ' A' ' 58' ' ' PHE . 2.1 tt -117.13 104.5 11.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.521 ' C ' ' CD2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -132.38 146.04 51.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.514 ' N ' ' CE2' ' A' ' 58' ' ' PHE . 6.8 ptp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CD2' ' C ' ' A' ' 50' ' ' ARG . 13.5 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.832 0.349 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 20.5 ttp180 -158.46 123.26 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 77' ' ' LEU . 1.9 mm? -87.22 126.12 34.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -113.64 121.53 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 4.9 m-85 -103.24 93.07 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -76.83 114.24 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.542 HG22 ' CZ ' ' A' ' 26' ' ' PHE . 2.5 t -133.9 107.72 11.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.71 170.11 59.85 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.339 -0.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.442 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.83 2.52 3.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -99.51 -20.3 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.62 142.64 57.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -68.97 -35.18 76.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -107.08 143.91 28.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.565 0.697 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.446 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 53.9 Cg_endo -69.79 141.16 44.38 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.435 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 46.0 tttt -78.36 -45.77 21.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.44 64.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 81.7 p -72.29 105.16 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 76' ' ' PRO . 67.3 mt -113.63 135.34 21.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.401 ' N ' HG23 ' A' ' 75' ' ' ILE . 53.6 Cg_endo -69.8 144.03 52.49 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.289 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.476 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -56.98 -39.8 75.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.8 p -51.84 -35.3 44.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.26 -44.65 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 15.1 mm -57.93 127.8 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.63 -35.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -149.4 128.67 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.409 HG11 ' CD ' ' A' ' 126' ' ' GLN . 7.8 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.442 ' CG2' ' HA ' ' A' ' 111' ' ' GLU . 15.0 p -141.81 177.87 7.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.9 p90 -171.24 142.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 39.9 t -99.08 136.31 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.9 mt -109.54 103.52 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.53 102.66 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 3.3 m -83.82 173.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.12 -20.22 64.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -90.67 36.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 38.63 63.03 1.06 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -142.79 121.07 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.445 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 74.5 mt-10 -99.8 131.8 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -118.23 103.34 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.438 HG22 ' CH2' ' A' ' 42' ' ' TRP . 21.7 mt -83.56 112.88 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.2 mp -111.15 137.52 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.481 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 25.6 tt0 -107.45 110.24 22.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 p -84.75 -174.92 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.98 -64.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -141.35 -175.0 4.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.2 p -57.75 -34.47 69.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -61.92 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -57.57 -40.65 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -59.84 -69.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -42.92 -42.84 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 124' ' ' ASP . 2.4 t -57.46 -55.87 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.544 ' CE3' HD23 ' A' ' 47' ' ' LEU . 44.5 m95 -49.67 -56.4 10.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.2 t -49.54 -25.77 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.09 -56.32 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.439 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -56.4 -53.49 56.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.7 mt -54.75 -63.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.409 ' CD ' HG11 ' A' ' 83' ' ' VAL . 10.5 mm100 -51.96 -48.4 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.38 -34.24 54.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.515 ' SG ' ' CD1' ' A' ' 58' ' ' PHE . 24.5 m -74.42 -40.7 61.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.749 0.309 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -51.48 128.21 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -92.73 -57.88 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HG2' ' CE2' ' A' ' 121' ' ' TRP . 5.0 tpm_? -152.37 144.36 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -146.68 120.8 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.6 170.81 33.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.85 101.05 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.21 173.63 10.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -98.76 141.2 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.538 ' CE1' HG22 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -130.44 162.89 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.452 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 10.2 ptp -154.82 164.59 38.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.6 t -122.54 125.06 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.15 102.86 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.522 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 99.2 m95 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.754 0.311 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -124.18 130.0 51.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -58.99 131.99 52.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.435 ' CB ' HG23 ' A' ' 64' ' ' VAL . 14.0 p -157.91 167.05 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 20.2 ttp180 -122.98 115.02 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.519 ' HB3' ' CH2' ' A' ' 121' ' ' TRP . 10.1 tp -84.12 123.85 30.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 tp -127.94 111.51 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 tt -103.58 103.62 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -120.39 171.04 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 14.9 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -139.28 129.61 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -105.37 138.05 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -124.54 139.33 53.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.2 m-85 -123.23 90.5 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -73.01 107.68 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.538 HG22 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -127.28 107.93 21.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 67' ' ' LYS . 53.3 Cg_endo -69.84 170.8 57.07 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.301 0.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.44 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.81 13.73 0.28 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 65' ' ' PRO . 37.7 mmtt -111.18 -24.59 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.38 147.77 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -69.66 -40.17 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -109.46 151.83 42.38 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.647 0.737 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.54 30.72 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.298 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -77.75 -47.27 19.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.8 t -121.3 62.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.8 p -67.44 107.36 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.8 mt -112.25 121.85 38.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.15 17.12 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.419 ' HB2' ' C ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -42.82 -39.21 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.9 m -51.78 -40.13 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.27 84.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.035 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.438 HD13 ' CG1' ' A' ' 102' ' ' VAL . 51.1 mm -59.53 133.57 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 pt -126.74 -34.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -146.44 138.3 24.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.478 ' CG1' ' OE1' ' A' ' 126' ' ' GLN . 2.7 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.471 ' HB3' ' N ' ' A' ' 115' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.93 0.395 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.0 p -136.32 143.64 44.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 9.7 p90 -141.02 138.65 33.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.7 t -95.42 134.58 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.43 HD23 ' CD1' ' A' ' 98' ' ' PHE . 23.3 mt -106.58 104.62 14.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.43 106.46 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.438 ' CG1' HD13 ' A' ' 80' ' ' ILE . 2.0 m -83.58 172.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.202 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.72 -42.01 35.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -33.86 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 113.91 76.12 0.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.542 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -169.12 133.6 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -104.56 139.07 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -124.29 105.37 9.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.452 ' HB ' ' CG ' ' A' ' 27' ' ' MET . 71.8 mt -86.15 109.74 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -107.32 139.19 42.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.522 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 20.2 tt0 -113.93 121.33 43.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.2 p -95.69 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 89.4 mt -50.07 -60.82 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.434 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -147.35 164.66 32.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.471 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 40.3 t -46.77 -29.36 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 34.2 mt -64.0 -42.22 97.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -79.01 -24.82 43.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -70.14 -58.51 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -46.48 -39.16 10.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 3.6 t -60.65 -48.72 80.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.519 ' CH2' ' HB3' ' A' ' 47' ' ' LEU . 52.8 m95 -59.14 -56.32 23.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 41.1 t -45.19 -40.76 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.99 -51.74 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.3 -40.14 73.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.6 -59.47 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.478 ' OE1' ' CG1' ' A' ' 83' ' ' VAL . 7.8 mm100 -53.12 -36.13 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.89 -25.68 70.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 129' ' ' VAL . 71.0 m -83.9 -62.11 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 128' ' ' CYS . 12.3 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 mm -67.34 115.7 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -81.93 -60.69 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -148.88 144.14 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -148.32 127.89 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.13 -173.42 22.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.71 98.48 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.93 173.84 10.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -98.09 139.96 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CE1' HG23 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -124.39 160.38 28.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.4 ptp -156.98 155.9 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.8 t -115.12 134.47 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.07 106.04 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 99.6 m95 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.71 0.29 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -119.29 124.99 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -55.53 129.45 38.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.422 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 23.9 p -155.19 164.79 38.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.466 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 28.5 ttt180 -117.51 119.12 34.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 12.9 tp -91.55 116.44 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.3 tp -119.73 111.53 18.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 49' ' ' LEU . 3.6 tt -98.69 111.94 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -143.54 145.61 32.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 58' ' ' PHE . 7.2 ptm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 6.9 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.798 0.333 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -158.42 127.85 5.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 77' ' ' LEU . 1.7 mm? -93.93 140.55 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -126.45 122.66 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -104.35 91.57 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -71.62 106.75 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.439 HG23 ' CE1' ' A' ' 26' ' ' PHE . 2.5 t -126.5 109.3 23.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.42 58.56 Favored 'Cis proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.354 -0.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.466 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.3 Cg_endo -69.77 4.03 2.43 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.643 2.228 . . . . 0.0 112.359 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -119.01 10.32 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.82 -176.98 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 p -99.08 -28.33 13.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -132.0 149.73 74.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.642 0.734 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.21 37.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -81.25 -49.95 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -114.97 69.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.9 p -80.03 100.13 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 70.5 mt -110.54 138.73 21.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 75' ' ' ILE . 53.9 Cg_endo -69.78 150.41 68.06 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.531 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -65.64 -29.83 70.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.7 t -64.76 -35.2 80.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.49 70.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.456 HD12 ' CG1' ' A' ' 102' ' ' VAL . 45.2 mm -58.68 128.32 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.9 -30.23 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -152.11 143.28 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.557 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.0 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.427 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 1.2 p-10 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.905 0.383 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.4 p -152.76 155.04 36.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 7.1 p90 -159.82 144.98 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.2 t -100.16 128.32 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.519 HD22 ' CD1' ' A' ' 98' ' ' PHE . 19.1 mt -99.78 104.59 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -95.47 107.62 19.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 5.5 m -87.18 176.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -70.24 -21.85 62.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -88.4 32.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.8 62.73 1.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -140.71 121.74 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -96.82 140.64 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -130.82 96.04 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.421 ' C ' HD13 ' A' ' 110' ' ' LEU . 52.9 mt -75.97 112.4 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.4 mp -109.14 137.92 46.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.567 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 29.3 tt0 -115.27 103.33 10.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 66.5 p -81.21 178.78 8.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.04 -64.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -151.4 -175.28 5.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -55.84 -28.1 54.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.88 -41.28 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -85.46 -43.0 13.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 3.3 tmtm? -55.32 -61.03 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.479 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 13.0 t60 -50.82 -34.47 27.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -67.26 -42.37 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.563 ' CZ2' ' HB3' ' A' ' 47' ' ' LEU . 55.7 m95 -63.46 -59.14 5.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.2 t -40.7 -43.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.13 -43.32 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -61.21 -33.98 74.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.466 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 6.7 mt -87.99 -36.98 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.557 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 12.9 mm-40 -73.73 -26.03 60.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.09 -34.13 52.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 125' ' ' ILE . 2.2 p -85.19 -50.71 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.479 ' N ' HD13 ' A' ' 77' ' ' LEU . 13.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.731 0.301 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.4 mt -53.37 103.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 24.2 mm100 -60.73 -52.05 66.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 17.0 mtt85 -163.1 167.63 22.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' CD ' HD11 ' A' ' 48' ' ' LEU . 22.1 tt0 -153.47 143.79 22.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.18 166.19 35.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.82 98.98 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.45 173.0 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -93.84 140.99 29.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CE1' HG22 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -129.69 160.99 31.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.8 ptp -154.86 166.46 33.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.4 t -126.4 128.49 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.43 101.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.4 m95 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.701 0.286 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -122.53 126.67 48.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 133.81 56.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.418 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 10.2 p -158.37 175.08 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.1 ttt180 -124.91 115.8 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.476 HD12 ' CE2' ' A' ' 62' ' ' PHE . 11.3 tp -88.48 115.15 25.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.406 HD11 ' CD ' ' A' ' 21' ' ' GLU . 14.3 tp -111.05 124.23 51.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 2.7 tt -108.55 99.13 8.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -128.6 163.22 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 50.8 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' A' ' 128' ' ' CYS . 35.2 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.856 0.36 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -157.69 125.12 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD2' HD21 ' A' ' 77' ' ' LEU . 1.7 mm? -93.61 132.59 37.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -115.25 125.9 53.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.476 ' CE2' HD12 ' A' ' 47' ' ' LEU . 5.3 m-85 -107.87 90.46 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -73.73 111.83 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.513 HG22 ' CE1' ' A' ' 26' ' ' PHE . 2.0 t -130.74 107.02 15.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.584 0.706 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' A' ' 67' ' ' LYS . 53.8 Cg_endo -69.76 170.76 56.9 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.347 -0.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.5 Cg_endo -69.76 10.07 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' A' ' 65' ' ' PRO . 12.9 ttmt -108.48 -25.05 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.55 144.2 8.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -31.49 71.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -118.2 150.94 48.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 140.68 43.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.226 . . . . 0.0 112.344 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 47.3 tttt -84.57 -45.15 12.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.7 t -124.88 67.01 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.2 t -77.66 113.53 15.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.518 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 74.3 mt -115.57 133.84 22.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.56 48.15 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 129' ' ' VAL . 0.3 OUTLIER -65.63 -24.84 67.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 p -71.17 -34.06 70.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.55 -35.54 76.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.7 mm -57.59 130.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 pt -120.67 -33.5 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -149.69 120.34 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.9 p -145.88 168.23 21.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 19.9 p90 -170.35 130.15 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 100' ' ' LEU . 12.1 t -93.68 139.91 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.485 ' N ' HG12 ' A' ' 99' ' ' VAL . 16.6 mt -113.1 110.57 20.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.36 101.07 12.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.7 m -75.56 176.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -73.44 -38.05 65.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.44 -25.83 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 102.43 61.3 0.73 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.65 126.24 16.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -98.05 127.08 43.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.518 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 60.8 m-85 -115.86 100.13 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' A' ' 99' ' ' VAL . 63.1 mt -81.13 112.97 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -111.83 145.28 39.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.582 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 32.8 tt0 -119.33 114.77 22.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 43.7 p -83.34 -176.28 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.33 -60.43 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -133.26 172.19 13.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.5 p -61.28 -26.13 67.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.18 -31.51 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -80.94 -35.0 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -62.11 -64.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -42.12 -43.44 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 4.8 t -54.6 -51.75 64.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.444 ' CZ3' HD22 ' A' ' 47' ' ' LEU . 44.4 m95 -56.84 -53.77 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.4 t -50.17 -37.11 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.14 -47.9 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 2.9 m-20 -57.0 -36.85 70.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 45.7 mt -79.18 -58.82 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -55.16 -33.72 63.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.86 -25.8 75.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 58' ' ' PHE . 49.5 m -89.42 -51.93 5.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 12.7 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.768 0.318 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.9 mt -69.73 128.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -91.59 -54.59 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.514 ' HD2' ' CE2' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -155.56 150.71 26.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 12.0 tm-20 -153.21 142.8 21.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.05 162.7 35.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.94 99.5 9.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 111.068 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD11 ' CG2' ' A' ' 112' ' ' THR . 0.2 OUTLIER -134.24 173.92 11.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.06 142.78 26.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -130.36 157.51 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.49 ' HE3' ' CE2' ' A' ' 42' ' ' TRP . 9.2 ptp -152.0 162.89 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.4 t -122.81 126.71 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.84 104.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.7 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.703 0.287 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -119.47 121.15 38.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -55.55 131.04 45.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.4 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 16.7 p -157.15 170.18 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -122.61 116.79 24.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.559 ' HG ' ' CH2' ' A' ' 121' ' ' TRP . 36.5 tp -84.72 126.23 33.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.0 tp -129.96 121.74 27.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tt -107.35 102.49 11.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -121.72 150.61 41.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 1.5 ptm85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.545 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 27.8 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -151.39 124.5 8.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -84.24 159.07 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -143.5 110.44 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.6 m-85 -101.93 88.35 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.403 ' C ' HG22 ' A' ' 64' ' ' VAL . 90.4 m-85 -71.67 116.59 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.3 t -134.97 109.79 10.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.2 Cg_endo -69.75 169.98 60.67 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.293 -0.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HB3' ' C ' ' A' ' 45' ' ' CYS . 54.0 Cg_endo -69.8 4.6 2.12 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -99.43 -23.06 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.43 147.61 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -73.68 -34.64 64.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -108.54 148.84 38.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.404 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 54.0 Cg_endo -69.76 136.54 33.26 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 25.9 tttp -80.19 -39.39 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.401 ' CG1' HD11 ' A' ' 75' ' ' ILE . 47.2 t -127.65 59.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.404 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 38.4 p -67.94 103.13 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 76' ' ' PRO . 42.2 mt -108.11 132.83 20.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.437 ' N ' HG23 ' A' ' 75' ' ' ILE . 53.6 Cg_endo -69.77 143.06 49.59 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -35.17 75.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.5 p -56.28 -30.8 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -63.22 -41.21 99.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.9 mm -57.73 127.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.87 -31.4 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -152.84 143.23 22.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.422 HG13 ' CG ' ' A' ' 126' ' ' GLN . 2.4 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.465 ' HB3' ' C ' ' A' ' 114' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.92 0.39 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.2 p -147.66 140.82 25.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CD1' HD21 ' A' ' 100' ' ' LEU . 5.9 p90 -144.49 142.89 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 83.9 t -100.93 137.64 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 98' ' ' PHE . 27.4 mt -113.02 101.7 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -89.75 96.92 10.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 6.0 m -75.86 172.48 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.8 pt-20 -65.11 -25.0 67.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -85.46 32.09 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.43 61.8 2.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -140.71 121.16 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.412 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 29.4 mt-10 -95.99 136.44 36.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -125.33 98.72 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.466 ' HB ' ' CG ' ' A' ' 27' ' ' MET . 70.6 mt -78.83 114.84 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.8 mp -109.96 137.58 47.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.56 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 61.2 tt0 -110.85 104.54 13.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.435 ' CG2' HD11 ' A' ' 24' ' ' LEU . 70.7 p -82.64 -173.52 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.74 -69.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.465 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 3.8 t70 -130.69 -177.58 4.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 95.8 p -57.95 -33.55 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -57.24 11.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -52.12 -46.29 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -58.49 -64.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -44.38 -41.77 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 t -61.29 -49.21 77.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.559 ' CH2' ' HG ' ' A' ' 47' ' ' LEU . 26.6 m95 -52.0 -60.86 2.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 97.8 t -42.67 -39.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.75 -49.97 66.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.36 -43.25 83.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.96 -68.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.422 ' CG ' HG13 ' A' ' 83' ' ' VAL . 28.8 mm-40 -49.49 -50.02 43.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -47.8 -20.51 1.22 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.455 ' SG ' ' CE1' ' A' ' 58' ' ' PHE . 54.8 m -98.29 -41.42 7.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.337 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.89 129.33 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -79.17 -58.4 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -148.66 150.16 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -149.77 124.15 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.69 177.78 32.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.45 105.82 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' CD1' HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -134.96 173.55 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 mtm-85 -95.34 138.19 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CE1' HG23 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -127.73 160.79 30.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 ptp -158.27 157.96 33.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 HG21 ' CE2' ' A' ' 108' ' ' TYR . 99.4 t -119.1 134.03 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.416 ' N ' HG12 ' A' ' 28' ' ' VAL . . . -69.18 101.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.416 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.9 m95 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.721 0.296 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -126.72 125.4 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -57.66 131.33 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.447 ' CB ' HG21 ' A' ' 64' ' ' VAL . 21.9 p -155.17 169.53 23.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 12.2 ttp180 -119.47 115.71 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.523 HD22 ' CE3' ' A' ' 121' ' ' TRP . 11.0 tp -84.42 119.48 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 tp -121.73 121.58 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.418 ' HG ' ' CD2' ' A' ' 60' ' ' LEU . 4.1 tt -113.3 98.75 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -116.42 156.92 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.567 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 24.4 ptt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 26.3 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -136.52 130.81 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -101.63 132.47 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -122.85 137.2 55.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.5 m-85 -120.22 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -71.44 116.1 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.563 HG23 ' CE1' ' A' ' 26' ' ' PHE . 2.5 t -134.54 106.41 10.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.7 Cg_endo -69.8 170.16 60.02 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.348 -0.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.452 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.74 2.71 3.27 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.0 -27.0 14.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.03 149.17 19.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.0 m -76.02 -34.02 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -107.82 140.26 21.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.06 39.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -81.61 -46.2 14.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.31 62.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 t -70.4 112.01 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.1 mt -118.78 126.91 26.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.07 32.09 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.57 -38.71 6.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.1 p -54.5 -38.36 66.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.63 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mm -58.65 134.66 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 pt -131.27 -30.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -153.05 137.66 16.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG12 ' CG ' ' A' ' 126' ' ' GLN . 7.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.441 ' HA ' ' CD ' ' A' ' 118' ' ' LYS . 1.2 p-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.0 p -134.84 151.55 51.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 11.7 p90 -151.23 137.06 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 37.4 t -93.69 140.98 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 98' ' ' PHE . 26.7 mt -115.11 106.19 13.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.09 97.82 10.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 5.8 m -76.65 176.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 3.8 pt-20 -67.34 -27.28 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 56.4 t-20 -84.21 32.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.87 61.33 1.96 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.475 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -136.99 122.09 19.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.724 0.297 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.482 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 18.8 mt-10 -96.49 133.62 40.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.463 ' CE2' HG21 ' A' ' 28' ' ' VAL . 48.1 m-85 -123.49 98.47 5.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.3 mt -78.21 112.57 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mp -106.47 144.04 33.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.416 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 42.2 tt0 -120.5 105.4 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.406 HG22 ' CD1' ' A' ' 24' ' ' LEU . 81.6 p -88.13 -179.1 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.488 ' CG1' ' HG3' ' A' ' 117' ' ' GLN . 39.0 mm -49.66 -66.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 115' ' ' SER . 43.1 m-20 -157.9 174.79 14.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 114' ' ' ASP . 20.6 p -33.09 -38.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.821 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 114' ' ' ASP . 4.2 mp -56.39 -66.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.488 ' HG3' ' CG1' ' A' ' 113' ' ' ILE . 6.8 mm100 -56.76 -46.05 81.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 96' ' ' ASN . 5.4 tttm -53.4 -68.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -45.54 -41.76 10.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.7 t -56.5 -46.5 80.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.523 ' CE3' HD22 ' A' ' 47' ' ' LEU . 53.7 m95 -63.29 -57.46 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 121' ' ' TRP . 96.7 t -36.4 -41.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.23 -49.77 32.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.99 -40.48 44.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mt -81.12 -64.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.462 ' CG ' HG12 ' A' ' 83' ' ' VAL . 10.1 mt-30 -48.48 -27.98 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.34 -29.43 56.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' VAL . 60.4 m -89.42 -48.82 7.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 128' ' ' CYS . 9.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -62.23 107.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -75.39 -45.29 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -163.04 138.15 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -148.38 138.0 22.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.13 160.2 33.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.53 104.53 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' CYS . 0.1 OUTLIER -137.29 172.31 13.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -94.46 154.73 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.554 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -144.73 149.49 35.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.2 ptp -146.62 152.73 39.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.9 t -113.98 128.09 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.64 102.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.473 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 60.1 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.721 0.296 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -129.61 129.82 44.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -62.14 130.41 45.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 5.0 p -155.96 175.91 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.436 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 32.2 ttp180 -130.79 114.18 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD23 ' CE3' ' A' ' 121' ' ' TRP . 12.9 tp -84.23 117.32 23.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.6 tp -124.06 115.17 20.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 tt -100.61 97.7 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -112.39 159.91 18.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 20.4 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -157.97 129.91 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD22 ' CD2' ' A' ' 77' ' ' LEU . 1.6 mm? -94.12 145.25 24.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -129.12 141.94 51.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.6 m-85 -123.43 78.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.421 ' C ' HG22 ' A' ' 64' ' ' VAL . 97.6 m-85 -61.48 113.65 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 26' ' ' PHE . 1.7 t -133.16 104.94 12.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.4 Cg_endo -69.8 169.97 60.92 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.325 0.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.436 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.2 Cg_endo -69.71 0.48 5.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.377 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.71 -23.79 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.18 145.3 37.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -71.74 -31.65 66.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 14.3 mtp-105 -112.96 142.34 27.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.83 67.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -90.17 -36.85 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -128.16 59.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.0 p -66.78 100.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.51 130.29 23.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.159 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 150.0 68.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.382 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.487 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -70.01 -7.04 37.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 t -89.23 -24.34 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.59 76.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.426 HD13 ' CG1' ' A' ' 102' ' ' VAL . 48.3 mm -58.11 135.99 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.22 -32.46 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -156.68 132.24 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.8 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 112' ' ' THR . 22.6 t30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.37 161.7 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 18.4 p90 -164.92 143.29 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 59.9 t -101.55 132.04 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.4 mt -105.89 106.38 16.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -95.82 109.07 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 7.6 m -86.79 175.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.88 -19.06 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -91.42 30.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.35 58.37 3.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.456 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -136.08 122.14 20.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 39.0 mt-10 -95.91 141.97 28.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -129.51 97.99 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.41 ' C ' HD12 ' A' ' 110' ' ' LEU . 48.9 mt -78.13 111.88 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mp -113.59 142.58 45.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 15.3 tt0 -120.21 136.46 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.502 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 36.5 p -109.98 175.06 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.21 -70.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -127.21 173.02 10.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.1 m -56.11 -28.67 58.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.427 ' C ' HD11 ' A' ' 116' ' ' LEU . 1.6 pp -62.96 -41.92 99.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.41 ' CD ' HD12 ' A' ' 116' ' ' LEU . 14.1 mm-40 -72.6 -42.1 64.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.468 ' CD ' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -58.29 -66.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.468 ' N ' ' CD ' ' A' ' 118' ' ' LYS . 11.3 t60 -44.94 -33.5 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -65.21 -51.78 58.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.572 ' CE3' HD23 ' A' ' 47' ' ' LEU . 46.7 m95 -57.2 -58.07 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.4 t -44.32 -38.78 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.21 -44.99 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.89 -38.46 78.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.0 mt -79.14 -54.64 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -57.57 -34.12 68.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -68.73 -24.76 75.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 85.3 m -95.19 -53.87 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.482 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 5.1 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -52.65 114.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -76.58 -45.86 28.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -164.44 157.73 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -154.12 138.91 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.97 178.22 37.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.87 105.07 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.88 173.39 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.49 146.66 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -132.96 149.09 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.438 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 8.0 ptp -145.29 164.91 29.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.2 t -124.28 127.64 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.98 102.05 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.737 0.303 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -119.2 126.51 51.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 130.76 47.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.2 p -158.35 172.2 18.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 35.2 ttt85 -119.19 138.44 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.552 HD21 ' CE3' ' A' ' 121' ' ' TRP . 11.7 tp -107.38 112.64 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.5 tp -116.16 126.28 53.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 58' ' ' PHE . 4.0 tt -117.18 107.26 14.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -132.78 160.12 37.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 41.6 mtm180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.578 ' CD2' HD22 ' A' ' 49' ' ' LEU . 15.8 m-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.437 ' CD ' ' OE2' ' A' ' 61' ' ' GLU . 20.3 ttm180 -158.19 122.7 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD22 ' CD2' ' A' ' 77' ' ' LEU . 1.6 mm? -90.22 147.71 23.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' OE2' ' CD ' ' A' ' 59' ' ' ARG . 15.3 mp0 -137.46 133.37 34.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.1 m-85 -112.47 98.56 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.92 101.68 6.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.2 t -121.94 106.35 36.7 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.597 0.713 . . . . 0.0 111.158 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.75 170.38 58.7 Favored 'Cis proline' 0 C--O 1.231 0.132 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.326 -0.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.444 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.77 4.85 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -109.55 -15.25 14.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.64 149.64 13.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -68.14 -33.65 74.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -124.65 152.47 69.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.72 . . . . 0.0 110.858 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.47 45.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -85.16 -45.11 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.1 t -118.18 63.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.3 t -75.11 113.87 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.439 HG21 ' CG1' ' A' ' 102' ' ' VAL . 76.1 mt -121.36 134.68 24.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.67 0.748 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 150.72 69.01 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.402 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.37 -35.29 79.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -62.5 -32.32 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.64 96.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.7 125.23 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.09 -34.54 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -141.78 128.77 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 61.6 p -130.7 168.5 17.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -161.57 135.28 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 88.6 t -89.47 152.26 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 106' ' ' ALA . 26.0 mt -127.71 96.64 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -89.98 100.33 13.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.439 ' CG1' HG21 ' A' ' 75' ' ' ILE . 3.4 m -76.98 159.51 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -48.29 -40.93 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -59.1 -28.18 66.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.68 50.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 100' ' ' LEU . . . -130.77 123.3 28.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 55.9 mt-10 -95.01 130.71 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.497 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 71.8 m-85 -119.79 98.87 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.438 ' HB ' ' CG ' ' A' ' 27' ' ' MET . 73.3 mt -77.27 115.87 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 108' ' ' TYR . 7.3 mp -111.77 140.21 46.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -111.31 112.58 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 42.8 p -85.53 172.29 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.7 mt -54.48 -56.97 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -146.47 170.25 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.8 p -52.04 -22.8 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.502 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 5.2 mp -72.56 -52.25 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -61.8 -32.87 73.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -59.73 -65.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -46.01 -41.73 12.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.445 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 1.6 m -56.29 -52.83 63.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.552 ' CE3' HD21 ' A' ' 47' ' ' LEU . 38.6 m95 -58.96 -62.85 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.5 t -37.69 -38.52 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.53 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 121' ' ' TRP . 40.0 m-20 -60.24 -38.46 83.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 121' ' ' TRP . 4.3 mp -80.46 -53.27 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -58.28 -37.38 74.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.4 -23.79 71.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 129' ' ' VAL . 78.7 m -94.93 -57.74 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' CYS . 5.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -60.9 103.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.577 ' HG2' ' CE1' ' A' ' 58' ' ' PHE . 13.8 mm100 -71.63 -40.11 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.76 147.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -152.55 145.41 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.96 168.46 39.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.13 102.11 11.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER -137.11 173.33 11.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -95.12 149.75 20.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CE1' HG22 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -137.89 159.7 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.8 ptp -156.02 162.45 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.94 127.04 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.14 103.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 72.6 m95 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.748 0.309 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -123.39 129.31 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -59.16 130.52 47.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' LEU . 14.8 p -153.89 174.73 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -126.59 113.7 17.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.541 HD23 ' CE3' ' A' ' 121' ' ' TRP . 14.4 tp -83.5 115.31 22.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.431 HD12 ' CD ' ' A' ' 50' ' ' ARG . 15.7 tp -123.64 125.71 45.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' CD2' ' CD1' ' A' ' 58' ' ' PHE . 4.3 tt -109.49 103.94 12.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.431 ' CD ' HD12 ' A' ' 48' ' ' LEU . 5.6 mmm180 -116.9 151.21 37.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 26.8 ptt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.584 ' CD1' ' HA ' ' A' ' 51' ' ' ARG . 12.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -158.02 131.25 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD23 ' CD2' ' A' ' 77' ' ' LEU . 2.3 mm? -95.7 143.78 26.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.93 132.4 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.9 m-85 -114.69 91.15 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -75.48 107.76 7.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.52 HG22 ' CE1' ' A' ' 26' ' ' PHE . 2.2 t -128.7 105.72 18.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.78 170.13 60.06 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.328 -0.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.92 7.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.742 2.295 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.43 -24.66 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.16 139.63 56.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -68.71 -32.15 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -107.66 143.12 26.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.444 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 53.9 Cg_endo -69.75 136.87 34.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 33.9 tttm -76.9 -40.82 46.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 88.0 t -127.4 61.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 36.5 p -65.61 109.91 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.416 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 82.6 mt -117.22 127.53 26.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.49 67.2 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 129' ' ' VAL . 0.2 OUTLIER -56.68 -42.8 79.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 m -51.28 -31.25 20.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -60.18 -48.56 81.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.0 mm -58.63 134.08 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 pt -131.63 -31.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -144.72 120.01 10.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.45 ' HB3' ' N ' ' A' ' 115' ' ' SER . 4.2 p-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.964 0.412 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 p -138.59 156.83 47.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 7.6 p90 -162.8 141.01 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.9 t -97.27 146.38 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 98' ' ' PHE . 26.6 mt -120.55 99.77 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -90.3 99.56 12.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.04 -179.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 79' ' ' ALA . 3.0 pt-20 -77.25 -18.07 57.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -82.58 -11.17 58.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.3 44.72 5.22 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.13 126.18 43.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.095 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -98.65 124.86 43.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.416 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 57.5 m-85 -113.73 104.79 12.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 55.5 mt -85.29 110.18 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.0 mp -105.75 144.15 32.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 55.0 tt0 -118.56 103.08 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.0 p -78.69 163.19 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 97.5 mt -42.54 -64.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.415 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 5.8 m-20 -139.13 167.57 21.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.45 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 18.9 p -48.82 -37.53 19.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.86 -40.26 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -74.58 -41.34 60.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -53.07 -69.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -42.35 -42.71 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -55.42 -44.35 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.541 ' CE3' HD23 ' A' ' 47' ' ' LEU . 43.1 m95 -66.12 -54.77 21.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 72.8 t -41.83 -42.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.19 -40.82 74.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.55 -30.95 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.3 mt -94.99 -34.17 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.404 ' HA ' ' CG1' ' A' ' 129' ' ' VAL . 12.5 mt-30 -73.36 -27.27 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.74 -28.14 63.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 129' ' ' VAL . 21.3 p -93.16 -50.04 5.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.371 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.489 ' N ' HD11 ' A' ' 77' ' ' LEU . 10.5 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.0 mt -74.06 104.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -73.95 -50.28 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.54 140.78 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -150.9 129.08 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.67 177.3 38.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.2 114.65 27.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.05 173.61 11.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -98.25 140.84 31.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.56 ' CE1' HG22 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -129.56 159.58 35.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.5 ptp -154.26 159.66 41.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.442 HG22 ' CE2' ' A' ' 108' ' ' TYR . 93.9 t -122.85 126.47 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.86 101.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.8 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.722 0.296 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -124.31 126.63 46.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 130.44 46.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.403 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 1.8 p -158.54 171.86 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.8 ttt180 -124.99 124.36 41.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.555 HD23 ' CE3' ' A' ' 121' ' ' TRP . 13.3 tp -92.91 114.3 26.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.424 HD21 ' NE ' ' A' ' 50' ' ' ARG . 36.4 tp -113.85 119.34 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 1.8 tt -108.06 99.8 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' NE ' HD21 ' A' ' 48' ' ' LEU . 59.5 mtm180 -126.85 162.81 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.555 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 8.7 mmt85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 9.0 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 76' ' ' PRO . 1.9 ttt85 -158.39 135.57 9.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.508 HD22 ' CD2' ' A' ' 77' ' ' LEU . 1.3 mm? -100.69 141.97 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -126.98 122.85 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.4 m-85 -104.23 83.43 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.425 ' C ' HG23 ' A' ' 64' ' ' VAL . 98.6 m-85 -67.21 113.2 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 26' ' ' PHE . 1.4 t -133.0 110.2 12.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 170.97 55.82 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.397 -0.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HB3' ' C ' ' A' ' 45' ' ' CYS . 53.8 Cg_endo -69.71 6.16 1.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -108.61 -4.04 17.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.01 149.22 37.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.9 p -76.1 -31.96 58.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -112.82 141.13 24.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 138.44 37.89 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -80.48 -43.16 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -122.22 63.6 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.3 p -68.75 101.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.2 mt -106.95 129.12 24.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.702 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.47 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 53.3 Cg_endo -69.77 151.41 68.98 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.508 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -65.56 -23.7 66.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.6 t -73.95 -32.61 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.21 93.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.043 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.446 HD11 ' CG1' ' A' ' 102' ' ' VAL . 38.0 mm -59.75 108.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.37 -28.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -156.3 152.39 27.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.463 HG13 ' CG ' ' A' ' 126' ' ' GLN . 9.7 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 112' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 p -143.12 152.42 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.5 p90 -167.59 146.58 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 17.3 t -100.96 144.22 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 mt -118.62 109.42 16.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -96.02 110.76 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 7.5 m -89.44 177.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -26.25 67.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -86.05 29.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.49 60.97 2.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -136.1 121.81 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.731 0.3 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 16.6 mt-10 -93.62 137.71 32.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.442 ' CE2' HG22 ' A' ' 28' ' ' VAL . 37.8 m-85 -127.33 95.68 4.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 110' ' ' LEU . 17.9 mt -76.64 115.12 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.9 mp -110.85 143.6 41.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -126.27 103.66 7.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.491 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 10.2 p -81.13 175.08 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 98.0 mt -50.24 -74.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -130.26 167.19 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.8 t -49.71 -39.22 36.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.7 mt -53.12 -38.89 63.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -83.2 -38.77 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.499 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.4 OUTLIER -65.84 -62.75 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.499 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.0 t60 -42.9 -35.37 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.2 t -69.45 -43.69 72.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.555 ' CE3' HD23 ' A' ' 47' ' ' LEU . 36.9 m95 -54.78 -62.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.9 t -42.29 -37.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.3 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.406 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 2.8 m-20 -60.24 -45.37 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mt -70.08 -63.83 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 126' ' ' GLN . 0.0 OUTLIER -52.9 -36.35 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.51 -13.72 82.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 33.5 m -99.58 -22.07 15.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.476 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 12.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.75 0.309 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.8 mt -60.39 111.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -64.32 -51.9 61.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -172.32 152.61 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -146.36 150.55 35.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.27 176.5 42.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.36 108.99 18.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.75 172.84 12.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -94.71 131.87 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CE1' HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -122.93 154.59 38.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.1 ptp -152.73 163.52 39.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.2 t -126.0 122.65 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.09 102.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.551 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 98.2 m95 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.707 0.289 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -134.31 133.24 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -61.75 127.6 32.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 26' ' ' PHE . 31.0 p -158.78 176.45 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -126.17 131.78 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.466 HD23 ' CH2' ' A' ' 121' ' ' TRP . 12.9 tp -101.74 114.52 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.2 tp -117.35 119.39 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.499 ' CD2' ' CD2' ' A' ' 58' ' ' PHE . 4.4 tt -104.75 116.47 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.421 ' C ' ' CD2' ' A' ' 58' ' ' PHE . 23.9 ptt85 -140.1 147.29 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 10.3 ptt180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.499 ' CD2' ' CD2' ' A' ' 49' ' ' LEU . 7.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -157.96 126.12 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' A' ' 77' ' ' LEU . 1.8 mm? -93.94 122.99 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -104.46 134.33 47.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -116.08 99.61 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 76.4 m-85 -82.1 114.51 20.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.576 HG22 ' CE1' ' A' ' 26' ' ' PHE . 1.4 t -136.61 104.41 9.19 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.724 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.0 Cg_endo -69.8 172.6 48.37 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 -1.811 . . . . 0.0 112.324 -0.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 65' ' ' PRO . 53.9 Cg_endo -69.76 -28.76 24.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.689 2.259 . . . . 0.0 112.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -87.75 -1.0 57.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.88 -13.77 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 1.6 m 64.01 25.06 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.475 ' C ' ' CD2' ' A' ' 63' ' ' PHE . 19.4 mtm180 -169.76 137.86 1.49 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HD3' ' CE2' ' A' ' 63' ' ' PHE . 53.1 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -84.14 -41.22 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.24 62.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.85 107.11 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.554 ' CD1' ' CZ ' ' A' ' 108' ' ' TYR . 85.1 mt -107.55 128.3 26.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 141.43 45.32 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.523 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.49 -47.9 75.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 p -44.37 -32.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -62.13 -43.83 97.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.6 mm -57.78 135.22 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.464 HD12 ' CD ' ' A' ' 101' ' ' LYS . 2.3 pt -131.66 -36.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -146.14 124.04 12.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.535 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.1 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.496 ' HA ' ' CB ' ' A' ' 118' ' ' LYS . 15.0 p-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.936 0.398 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.6 p -148.51 161.27 41.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.3 p90 -162.47 145.56 11.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 61.9 t -100.81 126.49 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 98' ' ' PHE . 25.1 mt -95.11 105.1 17.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.464 ' CD ' HD12 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -92.82 98.92 11.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.6 m -76.72 174.19 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 79' ' ' ALA . 1.6 pp20? -69.41 -39.61 77.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -58.85 -26.74 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 102.3 51.05 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.22 133.41 45.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.699 0.285 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.46 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 42.8 mt-10 -101.64 128.49 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.554 ' CZ ' ' CD1' ' A' ' 75' ' ' ILE . 49.9 m-85 -120.2 99.28 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.3 mt -80.21 105.7 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 8.6 mp -101.3 139.57 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.551 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 41.1 tt0 -118.16 105.03 11.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.6 p -75.39 -176.8 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mp -57.73 -62.05 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -141.14 174.58 10.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 84.7 p -52.85 -28.19 21.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 10.6 mt -66.44 -65.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -54.09 -27.79 35.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 96' ' ' ASN . 3.2 tmtm? -63.76 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.6 OUTLIER -50.55 -34.52 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -64.42 -45.19 88.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.466 ' CH2' HD23 ' A' ' 47' ' ' LEU . 35.1 m95 -61.03 -56.57 19.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.0 t -43.25 -37.24 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.45 49.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -52.52 -36.15 54.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 mt -85.62 -60.5 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.535 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 13.1 mm-40 -51.02 -29.5 12.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -76.68 -22.73 71.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 97.4 m -89.43 -52.46 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.734 0.302 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.29 106.51 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.98 -47.11 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . 0.5 OUTLIER -156.82 141.89 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' OE2' ' NH2' ' A' ' 46' ' ' ARG . 42.2 tt0 -153.0 130.8 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -156.52 -175.11 27.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.4 96.72 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.88 173.6 11.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -92.98 154.98 17.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CE1' ' CG2' ' A' ' 64' ' ' VAL . 0.5 OUTLIER -142.11 155.24 45.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 ptp -152.56 156.16 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.6 t -120.08 126.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 101.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.6 t0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 76.1 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.719 0.295 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -117.13 141.42 48.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -66.07 131.34 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.36 167.34 30.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 37.2 ttt180 -124.24 116.55 22.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.562 HD23 ' CE3' ' A' ' 121' ' ' TRP . 13.0 tp -86.71 114.85 23.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 tp -117.88 120.7 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 2.1 tt -111.27 97.94 7.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -125.77 170.53 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 -179.897 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.455 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 6.3 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -156.69 130.33 8.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 77' ' ' LEU . 2.2 mm? -95.05 151.14 19.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -140.08 122.46 16.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 4.2 m-85 -106.99 101.09 10.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -82.93 101.93 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.556 ' CG2' ' CE1' ' A' ' 26' ' ' PHE . 4.8 t -122.05 107.8 35.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 111.082 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.77 170.08 60.25 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.385 -0.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.428 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.77 1.5 4.38 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -98.51 -24.65 15.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.74 145.93 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -66.9 -42.88 84.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -109.29 152.04 42.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 140.8 43.56 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.278 . . . . 0.0 112.328 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -82.53 -39.05 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.04 62.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.0 p -70.97 109.5 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.469 ' CD1' ' CZ ' ' A' ' 108' ' ' TYR . 86.6 mt -117.53 130.29 24.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 149.85 67.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 129' ' ' VAL . 0.2 OUTLIER -60.42 -37.0 79.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -54.24 -35.04 62.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.84 90.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.453 HD11 ' CG1' ' A' ' 102' ' ' VAL . 26.1 mm -58.04 129.25 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.96 -31.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 17.9 tt0 -153.61 120.43 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 p -141.7 161.07 38.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.7 p90 -155.53 153.2 29.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.06 143.72 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.409 HD21 ' CD1' ' A' ' 98' ' ' PHE . 21.1 mt -114.99 103.86 11.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.427 ' NZ ' ' HA2' ' A' ' 105' ' ' GLY . 4.0 tmtm? -91.96 104.93 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.453 ' CG1' HD11 ' A' ' 80' ' ' ILE . 2.7 m -81.95 -178.81 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 5.5 pt-20 -84.68 -33.42 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.466 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 2.1 m120 -68.07 -23.47 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.427 ' HA2' ' NZ ' ' A' ' 101' ' ' LYS . . . 102.11 78.86 1.35 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -163.4 121.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -94.37 125.33 38.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.469 ' CZ ' ' CD1' ' A' ' 75' ' ' ILE . 41.0 m-85 -113.86 109.34 18.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.1 mt -92.83 109.47 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.8 mp -105.4 146.15 29.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 53.5 tt0 -116.75 102.03 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.3 p -73.15 -177.55 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.55 -69.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.68 169.22 14.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.6 p -52.63 -21.16 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.449 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 18.3 mt -74.63 -44.14 51.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -68.33 -36.42 79.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -57.67 -65.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -45.95 -46.99 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.524 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 1.6 m -50.82 -45.14 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CE3' HD23 ' A' ' 47' ' ' LEU . 45.8 m95 -64.86 -57.77 7.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.7 t -42.07 -41.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.62 -42.15 68.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 13.7 m-20 -61.08 -31.82 71.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.439 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 15.7 mt -90.79 -37.93 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -72.38 -28.36 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.03 -26.53 73.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.457 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 129' ' ' VAL . 2.5 p -92.69 -56.62 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.493 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.6 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -49.5 110.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -81.7 -45.78 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG2' ' CD2' ' A' ' 121' ' ' TRP . 3.4 tpm_? -161.32 141.08 10.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -151.75 139.31 19.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' OE2' ' A' ' 21' ' ' GLU . . . -167.01 -175.88 37.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.3 97.09 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.03 171.31 12.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -96.45 142.15 28.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -128.76 162.81 26.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.9 ptp -156.05 166.14 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 82.4 t -124.71 133.7 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.25 107.3 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 93.2 m95 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.765 0.317 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -127.13 128.53 46.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -56.15 122.91 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 15.0 p -150.81 172.33 15.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.436 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 34.5 ttm180 -124.42 129.43 50.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.1 tp -99.31 118.89 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 tp -124.18 121.04 34.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 tt -111.99 97.83 6.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -118.67 154.95 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.532 ' HG2' ' CE1' ' A' ' 58' ' ' PHE . 10.1 mtp85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 51' ' ' ARG . 30.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -151.87 126.58 9.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -90.38 133.09 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -125.04 129.48 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.5 m-85 -111.92 101.26 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -85.34 112.46 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 26' ' ' PHE . 1.8 t -130.25 105.39 16.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.66 170.38 58.34 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.359 -0.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.436 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.7 Cg_endo -69.77 -0.86 7.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.4 -28.05 16.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.17 150.56 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.1 m -75.99 -39.23 56.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -104.59 139.9 20.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 142.83 48.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -79.16 -46.11 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.2 t -122.07 67.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.1 p -74.42 109.88 8.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.463 HG21 ' CG1' ' A' ' 102' ' ' VAL . 72.5 mt -118.94 131.57 24.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.669 0.747 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.05 68.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -54.86 -42.4 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -52.73 -37.61 59.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.48 -48.54 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -57.94 133.87 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pt -129.11 -33.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -144.18 138.39 28.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.474 HG11 ' CG ' ' A' ' 126' ' ' GLN . 6.8 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.469 ' HB3' ' N ' ' A' ' 115' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.883 0.373 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.6 p -141.74 162.45 35.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 9.3 p90 -161.26 138.76 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 21.6 t -94.56 138.36 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.3 mt -114.51 104.04 11.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -96.05 102.79 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 75' ' ' ILE . 3.9 m -74.22 167.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 2.8 pt-20 -61.68 -29.74 70.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.471 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 0.8 OUTLIER -67.68 -30.14 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.44 47.96 0.95 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.97 123.06 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 14.7 mt-10 -93.96 128.1 40.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -119.2 104.94 10.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 55.4 mt -86.74 107.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.2 mp -102.03 139.1 38.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.512 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 36.0 tt0 -112.6 109.32 18.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.6 p -87.79 176.38 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 88.1 mt -48.33 -63.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -156.02 168.93 25.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.469 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 23.1 m -38.23 -36.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.07 -62.23 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -65.58 -41.8 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.519 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 8.7 tmtt? -52.57 -61.77 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.519 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.0 t60 -48.81 -37.9 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 m -61.79 -59.66 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' TRP . . . . . 0.424 ' HA ' ' OD1' ' A' ' 124' ' ' ASP . 48.2 m95 -45.53 -59.26 2.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.7 t -45.75 -31.17 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.96 -59.08 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.424 ' OD1' ' HA ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -52.7 -48.85 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.7 mt -60.55 -67.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.474 ' CG ' HG11 ' A' ' 83' ' ' VAL . 11.2 mt-30 -55.01 -27.78 46.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.04 -28.85 64.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 129' ' ' VAL . 49.2 t -93.56 -62.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 128' ' ' CYS . 4.1 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -167.2 165.83 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.385 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -153.38 135.17 14.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.76 -56.3 0.67 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m 61.32 41.82 12.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -90.19 -51.67 5.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.82 179.49 18.68 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -105.34 98.14 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -110.7 92.71 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.26 119.06 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.58 127.57 40.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.94 24.2 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 p -43.0 128.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -102.49 44.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.4 mt -120.23 -177.77 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -97.2 143.96 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -52.52 65.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -62.05 115.56 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -71.03 -46.46 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.42 HH22 ' NE2' ' A' ' 117' ' ' GLN . 17.9 ttt-85 -164.87 146.35 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -146.38 135.11 22.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.71 165.63 36.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.45 108.24 19.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.16 172.19 13.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.57 148.28 23.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -138.56 152.31 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 4.4 ptp -153.67 150.23 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -109.21 130.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.1 104.56 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -160.31 173.4 15.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -52.15 37.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 54.39 25.21 5.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.53 44.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.0 p -87.79 44.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.24 -159.51 27.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -43.39 2.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.323 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.73 156.76 33.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.96 -80.12 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.64 142.92 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' TRP . . . -55.83 113.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -41.21 -26.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ALA . 74.6 m95 -39.73 124.24 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -116.57 142.85 46.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 127.95 34.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.5 p -157.55 163.92 37.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -116.45 122.06 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.591 ' CD2' ' CZ3' ' A' ' 121' ' ' TRP . 13.2 tp -90.36 118.89 30.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.7 tp -122.95 112.82 18.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 2.5 tt -100.56 107.19 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -137.28 148.31 46.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.534 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 6.9 ptp180 -65.78 144.71 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.21 163.76 12.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.71 163.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 73.64 42.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' GLU . . . 107.35 -78.35 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' GLY . 4.3 tp10 -36.38 134.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 9.6 ptt-85 -77.71 -54.13 6.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.534 ' CD1' ' HA ' ' A' ' 51' ' ' ARG . 12.5 m-85 -139.71 173.12 11.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -158.26 127.72 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.488 HD22 ' CD2' ' A' ' 77' ' ' LEU . 2.6 mm? -88.95 135.38 33.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -122.46 131.08 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.1 m-85 -115.27 80.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.75 105.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -128.21 108.58 19.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 111.154 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.21 64.53 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.331 -0.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.58 7.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.387 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -104.23 -4.74 22.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 150.83 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -30.56 66.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -126.5 154.65 75.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.74 43.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.736 2.291 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -83.4 -48.38 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.8 t -116.72 59.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.2 p -70.55 104.67 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 60.7 mt -111.85 134.97 21.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.28 66.66 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.725 2.284 . . . . 0.0 112.37 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.488 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.05 -16.09 63.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -75.61 -29.94 59.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -61.48 -41.19 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.11 125.21 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.25 -19.3 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -168.15 132.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.534 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.4 p -112.24 104.1 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -85.71 129.22 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.404 ' C ' ' HE2' ' A' ' 87' ' ' MET . 58.7 p -103.13 17.0 25.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.502 ' O ' ' CE ' ' A' ' 87' ' ' MET . 46.9 p -94.1 175.14 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.502 ' CE ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -135.18 152.82 77.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 110.86 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -163.59 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.9 tp -90.74 -23.86 20.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -85.67 -6.68 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -103.9 135.55 19.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 5.92 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 64.77 54.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' NZ ' ' OE1' ' A' ' 111' ' ' GLU . 28.4 mtpt -49.52 143.83 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -79.48 -9.35 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -124.65 59.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.9 p -152.96 149.52 28.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.0 p90 -155.83 151.8 27.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 17.7 t -102.61 145.51 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.561 HD21 ' CD1' ' A' ' 98' ' ' PHE . 23.3 mt -120.96 106.67 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -93.42 115.7 28.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 106' ' ' ALA . 4.4 m -93.65 -177.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.9 pt-20 -78.92 -10.26 59.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.21 30.53 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 45.5 59.11 4.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.445 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -139.44 128.1 23.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.733 0.301 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 41.5 mt-10 -105.1 132.62 51.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -118.53 101.79 8.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.469 ' HB ' ' CG ' ' A' ' 27' ' ' MET . 78.2 mt -79.17 114.76 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.7 mp -110.73 157.3 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.438 ' OE1' ' NZ ' ' A' ' 94' ' ' LYS . 18.5 tt0 -136.54 114.77 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.8 p -93.52 179.65 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.1 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.22 -71.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 14.7 p-10 -137.03 175.82 9.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 p -51.44 -18.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -72.77 -48.78 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.42 ' NE2' HH22 ' A' ' 20' ' ' ARG . 4.1 mm100 -70.26 -49.5 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -46.27 -69.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -40.46 -58.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.4 t -40.97 -60.4 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.591 ' CZ3' ' CD2' ' A' ' 47' ' ' LEU . 39.2 m95 -44.58 -57.92 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -45.38 -28.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.25 -42.02 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.444 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 19.8 m-20 -61.55 -36.77 81.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.9 mt -78.35 -56.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.534 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 11.6 mm100 -57.6 -36.43 71.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.51 -22.99 68.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.4 m -93.74 -53.91 3.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.7 p -49.25 -42.45 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.74 -51.82 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 132' ' ' GLY . 13.4 t -43.52 -46.52 6.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' SER . . . -37.27 146.06 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 160.25 50.4 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.5 t -61.81 -57.06 13.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 t -110.31 154.96 22.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.447 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -159.74 168.89 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -163.81 164.09 23.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.14 111.37 1.39 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 p -146.84 146.66 30.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.916 0.388 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -152.86 173.7 15.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.8 41.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -42.84 138.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -140.75 167.78 21.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.94 46.81 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.79 126.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -172.39 163.26 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 14.9 p -69.17 101.67 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' C ' HD11 ' A' ' 15' ' ' LEU . 2.6 tm-20 -112.5 26.99 10.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 ' C ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -115.02 16.77 17.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 p -176.9 145.57 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.6 -50.22 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.38 109.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -78.8 -44.87 22.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -159.05 141.84 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 1.4 tm-20 -147.2 121.56 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.07 -175.35 20.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.62 92.99 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' CD1' HG21 ' A' ' 112' ' ' THR . 0.1 OUTLIER -124.23 173.31 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -95.68 139.01 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -125.91 164.17 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.7 ptp -157.72 160.02 37.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.2 t -121.48 123.78 70.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 104.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.48 150.02 33.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.44 163.37 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -164.44 164.91 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.8 -60.45 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.9 p -134.77 134.47 40.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.39 -161.88 9.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 178.48 4.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.334 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.08 75.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.78 -53.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.6 p -120.69 175.41 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.14 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -65.76 124.24 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' TRP . 34.2 tt0 -37.02 -35.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.492 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 98.5 m95 -34.88 128.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -116.47 125.37 51.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -58.44 133.54 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.1 p -158.57 172.85 17.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -124.34 115.07 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.558 HD22 ' CE3' ' A' ' 121' ' ' TRP . 11.6 tp -86.58 123.32 31.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.9 tp -128.17 119.64 25.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 HD22 ' C ' ' A' ' 49' ' ' LEU . 3.6 tt -103.17 99.03 8.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -115.04 148.15 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -83.35 141.93 31.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 56' ' ' GLU . . . -95.92 137.28 35.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -116.71 148.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 53.92 48.54 21.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.73 -103.73 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' HG2' ' CB ' ' A' ' 52' ' ' ALA . 5.7 pt-20 -95.45 179.38 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -80.23 -71.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.604 ' CE2' ' SG ' ' A' ' 128' ' ' CYS . 12.4 m-85 -126.81 168.3 14.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -153.88 127.33 8.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.58 140.23 30.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -128.47 124.54 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -107.26 79.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -60.92 104.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.1 t -127.36 115.6 21.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 111.166 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.53 57.76 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.354 -0.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 3.26 2.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -109.74 0.59 18.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.76 148.23 31.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.4 m -75.03 -32.8 61.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -111.2 147.11 35.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 142.75 48.96 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 40.6 tttp -86.8 -47.71 8.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.06 66.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.0 p -75.36 100.83 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 76' ' ' PRO . 78.2 mt -110.95 136.24 20.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.576 0.703 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.416 ' N ' HG23 ' A' ' 75' ' ' ILE . 53.7 Cg_endo -69.82 150.64 68.09 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HB2' ' C ' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -65.76 -17.82 64.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.2 p -72.74 -35.73 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -56.47 -42.78 78.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.9 mm -58.04 123.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.57 -22.93 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -162.38 142.11 9.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.474 HG13 ' CG ' ' A' ' 126' ' ' GLN . 7.7 p -116.83 98.17 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -71.16 73.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.2 p -51.87 -17.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.403 ' C ' ' HE2' ' A' ' 87' ' ' MET . 14.9 t -90.89 149.89 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.403 ' HE2' ' C ' ' A' ' 86' ' ' THR . 30.3 mmt -102.39 152.81 38.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.537 0.684 . . . . 0.0 110.892 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -165.25 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.6 tp -79.49 11.61 2.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -121.0 38.06 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.457 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 2.8 ttt -159.57 141.22 9.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 91' ' ' MET . 53.5 Cg_endo -69.76 3.47 2.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 68.83 50.03 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -53.32 126.56 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.94 -2.1 8.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -122.96 43.74 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 p -145.14 148.86 34.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.549 ' CD1' HD22 ' A' ' 100' ' ' LEU . 11.1 p90 -151.12 152.62 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 33.8 t -109.16 134.93 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.549 HD22 ' CD1' ' A' ' 98' ' ' PHE . 8.8 mt -110.92 109.67 19.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -98.08 110.94 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.7 m -82.32 175.01 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.0 pt-20 -69.5 -30.04 67.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.4 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 10.9 m-20 -70.49 -15.59 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.21 53.88 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.1 126.28 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.471 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 17.5 mt-10 -95.64 129.49 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -116.78 97.2 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.406 ' C ' HD13 ' A' ' 110' ' ' LEU . 20.3 mt -79.86 115.86 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 109' ' ' ILE . 7.8 mp -110.91 152.39 26.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.492 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 31.6 tt0 -121.29 107.66 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.445 HG21 ' CD1' ' A' ' 24' ' ' LEU . 25.8 p -87.62 175.66 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.91 -67.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -143.18 167.59 21.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 t -41.79 -29.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.65 -51.82 66.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -67.27 -47.55 70.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -46.87 -64.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -47.4 -52.01 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 124' ' ' ASP . 1.7 m -45.67 -43.64 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.558 ' CE3' HD22 ' A' ' 47' ' ' LEU . 48.3 m95 -68.63 -60.18 2.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -38.71 -46.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.06 -50.4 64.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 120' ' ' SER . 28.7 m-20 -52.08 -37.06 52.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.8 mt -83.81 -63.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.474 ' CG ' HG13 ' A' ' 83' ' ' VAL . 9.2 mt-30 -46.17 -36.91 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.505 ' O ' ' CA ' ' A' ' 132' ' ' GLY . . . -70.59 -37.83 68.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.604 ' SG ' ' CE2' ' A' ' 58' ' ' PHE . 90.4 m -76.15 -32.78 59.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' CYS . 40.3 t -34.37 -49.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 129' ' ' VAL . 3.6 m-20 -176.47 134.79 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.2 p 54.81 54.98 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 127' ' ' GLY . . . -71.3 -80.52 0.33 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -3.44 12.07 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.3 t -39.77 155.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.5 p -165.31 148.07 7.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 p -70.84 83.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -140.84 122.71 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.47 -43.01 25.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -44.0 -59.71 2.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -38.93 139.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.27 137.04 13.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -165.4 132.0 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.67 163.06 13.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.03 131.2 38.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.93 105.85 12.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -134.98 128.33 32.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -137.43 140.12 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -75.84 108.77 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -128.84 178.03 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 17' ' ' ASP . 60.0 t -116.83 137.76 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.439 ' N ' HG11 ' A' ' 16' ' ' VAL . 9.0 m-20 -48.49 -57.66 5.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 HD12 ' CG1' ' A' ' 16' ' ' VAL . 4.5 mp -52.34 116.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -86.78 -48.24 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' CD ' ' HB3' ' A' ' 120' ' ' SER . 26.6 ttm-85 -161.41 140.71 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -148.27 126.8 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.89 -176.75 20.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.79 101.09 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.37 173.64 11.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -95.76 141.41 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CE1' HG23 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -125.71 155.65 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.8 ptp -151.04 162.43 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.2 t -123.98 126.16 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.71 104.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -164.85 152.04 11.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -89.1 171.36 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -146.81 124.57 11.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.02 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.1 m -156.6 172.04 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.67 -170.94 21.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 176.67 6.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.09 -163.16 9.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.1 -179.06 42.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.1 m -69.0 -54.45 15.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 111.102 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.32 141.58 37.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -57.56 -19.72 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.1 m95 -50.19 137.58 17.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -129.55 130.4 45.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -60.92 129.24 40.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.413 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 24.2 p -158.7 169.22 24.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 37.2 ttt180 -120.05 119.1 32.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.559 HD22 ' CE3' ' A' ' 121' ' ' TRP . 12.8 tp -89.5 116.72 27.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 tp -119.57 117.99 29.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.511 ' CD2' ' CD2' ' A' ' 58' ' ' PHE . 3.5 tt -101.68 98.11 8.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -114.26 158.69 21.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -92.42 139.5 30.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.94 149.32 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.84 162.05 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 51.97 46.83 25.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.12 -138.32 6.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.501 ' OE1' ' CB ' ' A' ' 76' ' ' PRO . 21.0 tt0 -40.99 155.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -73.18 -70.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.528 ' CE1' ' SG ' ' A' ' 128' ' ' CYS . 5.8 m-85 -121.15 170.17 9.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -157.95 120.52 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.485 ' CD2' HD23 ' A' ' 77' ' ' LEU . 3.2 mm? -85.15 154.25 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -138.98 121.4 16.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.5 m-85 -103.39 86.08 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.0 109.08 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.535 HG23 ' CE1' ' A' ' 26' ' ' PHE . 2.3 t -128.0 111.57 20.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 170.18 59.62 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.317 -0.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.457 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.8 3.6 2.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.334 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -114.88 5.75 15.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.5 166.33 23.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -84.86 -34.76 22.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -120.53 151.69 54.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 149.41 67.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.282 . . . . 0.0 112.349 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -95.49 -45.36 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.9 t -124.95 67.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 m -74.08 111.28 9.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.7 mt -111.93 132.7 21.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.501 ' CB ' ' OE1' ' A' ' 56' ' ' GLU . 53.7 Cg_endo -69.77 147.84 63.66 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.485 HD23 ' CD2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -70.09 -23.04 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -71.31 -31.49 67.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.4 87.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.416 HD11 ' CG1' ' A' ' 102' ' ' VAL . 47.1 mm -60.14 123.91 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 pt -118.19 -36.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -143.87 134.14 24.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 p -124.8 129.63 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -94.54 157.84 15.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.5 p -125.96 -40.42 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.2 t -98.35 158.38 15.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.87 158.23 52.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.57 0.7 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.725 2.284 . . . . 0.0 112.349 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 89' ' ' LEU . 3.9 mm? -79.37 47.95 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -123.98 -44.39 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.518 ' C ' ' H ' ' A' ' 93' ' ' GLU . 2.3 mmt -75.66 160.52 78.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 53.7 Cg_endo -69.7 19.78 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 91' ' ' MET . 57.0 mt-10 65.27 55.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -103.94 129.58 51.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.14 39.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.486 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 2.3 p-10 -135.0 32.17 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 p -138.09 154.63 49.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.9 p90 -153.73 146.98 24.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.13 140.69 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.438 HD22 ' CD1' ' A' ' 98' ' ' PHE . 25.7 mt -109.96 105.85 15.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.6 99.83 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.416 ' CG1' HD11 ' A' ' 80' ' ' ILE . 8.0 m -77.36 176.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -70.42 -39.26 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -60.26 -23.33 64.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 98.57 51.75 1.39 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.8 129.43 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -100.49 124.12 45.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -114.99 97.28 6.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.417 ' C ' HD12 ' A' ' 110' ' ' LEU . 42.9 mt -77.47 116.24 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.087 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.5 mp -111.45 140.62 45.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.503 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 39.9 tt0 -110.92 103.17 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.6 p -78.06 172.17 13.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.36 -63.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.85 167.72 20.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.9 p -45.18 -54.32 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 mt -43.07 -43.46 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -67.52 -47.49 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' A' ' 118' ' ' LYS . 1.2 ttpm? -51.3 -69.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -43.15 -48.08 6.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.421 ' HB3' ' CD ' ' A' ' 20' ' ' ARG . 1.7 m -50.36 -49.85 52.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.559 ' CE3' HD22 ' A' ' 47' ' ' LEU . 51.8 m95 -60.09 -54.51 45.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.8 t -48.48 -37.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.3 -49.08 29.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.415 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -57.07 -33.91 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 44.1 mt -82.29 -61.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -54.88 -31.41 59.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.46 -24.38 76.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.528 ' SG ' ' CE1' ' A' ' 58' ' ' PHE . 64.4 m -91.81 -51.74 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 130' ' ' ASP . 2.2 p -34.63 -32.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 128' ' ' CYS . 6.0 m-20 -175.25 132.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.9 t -31.79 95.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 130' ' ' ASP . . . -129.71 120.88 3.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -47.17 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.9 t 55.04 41.37 31.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 96.5 p -120.94 99.64 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.462 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 m -144.91 157.7 44.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.7 p -62.57 -33.17 74.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.2 152.19 8.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.441 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 m 56.06 47.91 18.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -57.87 144.45 38.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.28 103.3 0.48 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.26 104.82 15.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tp 45.62 43.81 9.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.0 137.31 17.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.04 146.69 30.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.31 44.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -78.11 141.35 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -118.75 117.02 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -146.05 174.5 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.3 132.63 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -59.95 4.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -57.78 102.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.053 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -64.27 -47.89 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -161.77 147.48 13.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.18 123.76 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.35 -178.63 28.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.27 115.1 23.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.08 172.99 12.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -95.06 149.25 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -135.26 154.27 51.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.527 ' HE1' ' CD1' ' A' ' 42' ' ' TRP . 5.7 ptp -150.96 155.76 39.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -114.48 128.37 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.22 101.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -164.7 145.61 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -101.36 163.08 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.65 -59.08 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.91 167.76 5.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 t -81.64 109.6 16.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.06 -164.31 11.32 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 89.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.02 -160.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.29 104.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.8 m -112.4 -42.67 3.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 111.127 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' C ' ' HE2' ' A' ' 27' ' ' MET . . . -119.37 96.36 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -97.1 124.32 41.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 67.6 m95 -77.77 163.57 26.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -138.36 122.36 17.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -56.6 131.97 50.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.415 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 4.1 p -158.37 174.98 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.464 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 30.1 ttm180 -126.3 119.95 28.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.48 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 11.5 tp -86.64 117.62 25.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 tp -115.3 120.27 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD22 ' CD1' ' A' ' 58' ' ' PHE . 2.3 tt -114.06 99.99 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -136.72 157.89 45.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 14.7 mmm-85 -66.63 157.85 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 56' ' ' GLU . . . -117.31 123.76 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ALA . 34.6 m -92.43 156.06 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . 37.54 52.4 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.66 -103.06 0.16 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 30.2 tp10 -117.57 163.84 15.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -53.18 -64.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.571 ' CE2' ' SG ' ' A' ' 128' ' ' CYS . 8.7 m-85 -127.89 170.5 12.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -158.25 125.93 5.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.492 HD23 ' CD2' ' A' ' 77' ' ' LEU . 1.1 mm? -94.76 133.6 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -122.86 127.63 49.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.5 m-85 -105.98 86.22 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -69.02 109.09 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' A' ' 65' ' ' PRO . 3.1 t -126.89 104.97 22.91 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.659 0.742 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.81 170.21 59.83 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.328 -0.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.464 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.8 1.51 4.4 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.64 2.227 . . . . 0.0 112.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -118.0 8.39 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.25 179.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.8 p -89.0 -26.55 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -143.46 155.44 60.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.22 39.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -80.9 -46.96 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.448 ' CG1' HD11 ' A' ' 75' ' ' ILE . 40.3 t -119.43 63.06 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.6 p -72.75 98.96 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.448 HD11 ' CG1' ' A' ' 73' ' ' VAL . 69.0 mt -109.56 134.96 20.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.729 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 150.23 68.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.492 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.48 -15.31 62.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -80.26 -30.65 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.13 95.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.6 mm -59.65 113.46 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.472 HD13 ' CD ' ' A' ' 101' ' ' LYS . 1.1 pt -99.05 -35.01 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -153.63 141.86 20.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.476 HG12 ' CG ' ' A' ' 126' ' ' GLN . 7.2 p -116.44 99.75 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -75.03 98.77 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.2 p -86.61 37.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 87' ' ' MET . 20.2 m -131.88 146.99 52.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.464 ' N ' HG22 ' A' ' 86' ' ' THR . 1.0 OUTLIER -120.57 163.0 31.53 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 110.868 179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -163.12 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.48 HD22 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -86.98 27.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -123.73 43.1 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 93' ' ' GLU . 11.0 tpp -148.07 136.5 11.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.543 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 54.2 Cg_endo -69.78 20.72 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 92' ' ' PRO . 10.1 pt-20 47.96 55.06 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HE3' ' CG ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -91.53 -1.03 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.436 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.0 m-20 38.03 54.96 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.455 ' C ' ' OD1' ' A' ' 96' ' ' ASN . 2.3 p-10 -131.02 22.77 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.4 p -140.78 179.8 6.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.8 p90 -170.06 144.05 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 16.9 t -100.1 134.97 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.48 102.97 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.952 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.472 ' CD ' HD13 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -90.28 107.59 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.434 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 2.8 m -87.08 178.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -67.77 -25.13 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' GLY . 4.4 m120 -89.13 37.54 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 37.27 62.17 0.92 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.515 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.434 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -135.11 126.02 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 73.6 mt-10 -102.0 132.8 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -119.51 102.65 8.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.497 HG23 ' CH2' ' A' ' 42' ' ' TRP . 62.3 mt -84.72 106.02 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.7 mp -105.77 140.03 39.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.561 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 19.7 tt0 -110.53 111.97 23.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 62.5 p -95.03 174.35 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.474 HG13 ' NE2' ' A' ' 117' ' ' GLN . 26.5 mm -42.46 -75.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -152.25 176.56 11.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.2 p -39.82 -32.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.45 -61.15 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.474 ' NE2' HG13 ' A' ' 113' ' ' ILE . 25.6 mt-30 -70.92 -39.52 72.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -53.92 -58.38 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.49 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.3 t60 -58.35 -30.09 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 p -68.87 -43.98 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.48 ' CZ2' ' HB3' ' A' ' 47' ' ' LEU . 33.5 m95 -62.59 -58.68 6.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.4 t -45.41 -44.07 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.38 78.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -59.22 -40.77 86.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 68.9 mt -74.14 -63.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.476 ' CG ' HG12 ' A' ' 83' ' ' VAL . 19.6 mt-30 -52.75 -36.05 57.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.5 -15.53 70.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.571 ' SG ' ' CE2' ' A' ' 58' ' ' PHE . 17.0 m -95.41 -54.62 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.0 p -46.54 -32.53 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -76.2 -50.5 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.3 m -131.54 -74.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 160.16 -70.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 167.89 23.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.4 m -63.99 98.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 6.1 m -49.42 -59.62 3.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -123.65 148.8 46.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -150.07 172.5 15.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.8 151.07 11.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -124.87 -62.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 t -170.35 153.55 4.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.3 67.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -109.14 -33.28 6.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -84.65 47.16 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.0 80.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.054 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.14 -58.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -99.76 92.18 5.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 13.6 p -93.21 93.23 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -86.72 51.52 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -87.11 143.66 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.2 t -52.82 130.36 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -38.93 -58.25 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.37 113.75 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.652 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 4.0 mt-30 -81.41 -55.13 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -146.02 141.99 28.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -149.74 118.91 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.65 177.77 27.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.445 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.83 94.33 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.94 172.21 8.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -95.42 146.65 24.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CE1' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -134.42 152.45 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 ptp -154.05 154.44 33.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.0 t -116.08 127.8 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.65 102.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -151.45 129.15 11.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.17 152.43 21.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.68 -52.98 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.53 42.42 27.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -113.15 -44.57 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.89 -172.48 30.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 159.65 52.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.09 -169.18 28.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.64 134.9 13.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.3 m -73.15 -55.6 6.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.24 99.18 6.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 132.37 51.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 78.1 m95 -88.76 147.76 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -126.76 123.4 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -55.12 134.84 49.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.424 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 10.2 p -158.83 171.39 20.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 56.9 ttp85 -123.5 113.49 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.574 HD23 ' CE3' ' A' ' 121' ' ' TRP . 12.6 tp -83.89 117.74 23.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.7 tp -125.57 118.69 26.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.636 ' CD2' ' CD1' ' A' ' 58' ' ' PHE . 2.2 tt -108.2 111.92 24.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -132.0 160.2 36.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -65.58 159.94 23.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.24 118.81 25.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.39 148.55 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.98 46.44 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.83 -141.07 7.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 78' ' ' SER . 9.6 tp10 -51.15 167.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.2 mtt85 -77.71 -52.61 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CZ ' ' CD ' ' A' ' 19' ' ' GLN . 11.2 m-85 -123.66 171.43 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -156.87 127.96 6.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 77' ' ' LEU . 2.0 mm? -89.77 133.29 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -123.05 127.17 48.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.6 m-85 -107.54 90.08 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -76.78 108.62 9.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.563 HG23 ' CE1' ' A' ' 26' ' ' PHE . 3.4 t -129.6 113.71 17.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 170.39 58.36 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.379 -0.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.452 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.75 3.01 3.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.47 11.66 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.68 165.26 25.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -92.17 9.47 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -167.26 151.18 6.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 155.48 65.92 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -106.23 -41.92 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.0 t -126.88 63.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -74.76 114.46 13.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 76' ' ' PRO . 61.2 mt -121.95 134.34 24.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.706 0.765 . . . . 0.0 111.068 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.413 ' N ' HG23 ' A' ' 75' ' ' ILE . 53.1 Cg_endo -69.8 146.61 60.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -54.16 -41.11 68.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.421 ' HB2' ' CD ' ' A' ' 56' ' ' GLU . 30.4 t -54.1 -37.51 64.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.72 -42.72 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.462 HD12 ' CG1' ' A' ' 102' ' ' VAL . 33.4 mm -65.6 129.36 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.6 -30.63 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -151.83 142.66 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.513 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.7 p -135.72 118.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -89.43 157.94 17.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.4 p -129.95 29.41 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.2 m -136.38 135.62 38.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.6 mmt -108.54 153.63 42.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -165.51 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -84.9 58.3 4.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -127.75 -33.86 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.447 ' C ' ' H ' ' A' ' 93' ' ' GLU . 5.7 mtt -93.4 165.49 18.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 10.93 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' A' ' 91' ' ' MET . 9.8 tt0 74.96 52.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -95.14 174.95 6.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -128.33 46.67 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -135.04 32.77 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.4 p -142.56 147.93 36.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 4.5 p90 -151.32 147.82 27.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 41.6 t -101.65 135.97 35.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.148 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.56 104.95 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -95.48 102.45 14.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.462 ' CG1' HD12 ' A' ' 80' ' ' ILE . 4.5 m -79.58 178.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -24.21 63.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -86.03 30.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.06 59.88 3.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.448 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -137.58 122.2 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.461 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 19.3 mt-10 -96.52 135.08 38.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.424 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 70.6 m-85 -122.37 95.39 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.413 ' C ' HD12 ' A' ' 110' ' ' LEU . 40.0 mt -76.11 111.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 110' ' ' LEU . 8.6 mp -109.66 142.28 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 31.6 tt0 -114.18 108.47 17.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 44.8 p -83.78 -177.03 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.3 mp -67.32 -58.76 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -149.87 177.93 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 89.5 p -57.24 -23.49 48.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.2 mp -69.48 -39.53 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -83.4 -37.86 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -58.56 -65.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -46.4 -42.55 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -61.01 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.574 ' CE3' HD23 ' A' ' 47' ' ' LEU . 30.7 m95 -61.63 -62.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.7 t -39.63 -33.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.97 -49.4 45.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.405 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 43.3 m-20 -52.86 -35.01 56.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.93 -67.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.513 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 10.7 mm100 -48.95 -32.3 8.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.07 -41.31 92.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 129' ' ' VAL . 41.1 t -82.62 -54.69 4.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 128' ' ' CYS . 51.5 t -29.61 -52.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 131' ' ' SER . 17.4 m-20 -167.72 130.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 130' ' ' ASP . 1.8 m -31.05 97.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 130' ' ' ASP . . . -145.02 69.15 0.4 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.03 11.2 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 135' ' ' SER . 65.8 p -111.82 136.89 50.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 134' ' ' SER . 1.8 m -35.48 -47.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -121.95 97.57 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -91.91 96.65 10.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.77 111.79 0.47 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -104.0 114.92 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 7' ' ' GLY . 35.8 p -113.31 -51.89 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.49 -141.56 0.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -172.23 122.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -77.24 131.81 38.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.86 166.91 10.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.09 -179.77 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 43.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 14' ' ' GLU . 10.5 p -123.34 140.17 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.447 ' N ' HG23 ' A' ' 13' ' ' VAL . 1.3 tm-20 -91.8 44.5 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' GLU . 2.5 tt -37.19 131.61 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.49 127.06 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -53.55 -48.36 69.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.7 mt -77.86 131.94 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.407 ' CG ' ' CE1' ' A' ' 58' ' ' PHE . 8.0 mm100 -95.54 -47.26 6.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -162.53 139.31 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -147.44 131.22 16.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.57 32.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.75 97.72 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' CYS . 0.1 OUTLIER -133.74 173.58 11.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 42' ' ' TRP . 28.0 mtm180 -93.57 154.57 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE1' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -143.25 146.82 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.424 ' HE3' ' CD1' ' A' ' 42' ' ' TRP . 6.0 ptp -144.26 154.96 43.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.83 131.12 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.42 102.87 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -164.18 153.61 13.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -101.97 97.7 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.35 143.48 44.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 45.01 42.21 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.2 p -62.25 159.47 14.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.32 -144.98 6.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 1.61 4.22 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.55 167.13 39.98 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.33 116.53 0.63 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 p -117.46 157.34 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.14 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' C ' ' HE1' ' A' ' 27' ' ' MET . . . -66.25 98.0 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -96.16 125.64 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 43.9 m95 -77.06 167.08 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -135.23 129.16 33.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -61.39 130.06 44.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.408 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 8.6 p -158.84 173.49 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 46.9 ttt180 -123.31 112.35 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.573 HD22 ' CE3' ' A' ' 121' ' ' TRP . 21.3 tp -83.96 113.32 20.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.6 tp -119.4 126.43 51.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tt -106.5 97.55 7.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -111.16 153.6 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 7.3 ttm180 -87.85 141.25 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.42 152.28 19.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.62 150.87 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 46.05 47.84 12.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.01 -98.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -102.21 165.81 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.418 ' NH2' ' HA ' ' A' ' 78' ' ' SER . 12.9 ptt-85 -66.6 -55.3 15.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.486 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 10.3 m-85 -140.79 173.17 11.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -157.4 131.08 8.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.49 HD23 ' CD2' ' A' ' 77' ' ' LEU . 2.2 mm? -92.46 150.96 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -134.55 131.09 37.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.4 m-85 -116.17 88.35 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.41 ' C ' HG21 ' A' ' 64' ' ' VAL . 94.0 m-85 -72.56 113.01 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.434 HG23 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -133.68 107.76 11.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.78 170.79 56.85 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.295 -0.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.4 Cg_endo -69.73 -0.86 7.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.84 -17.85 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.45 139.9 58.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -69.16 -33.47 73.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -108.52 143.54 27.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 143.4 50.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -83.17 -48.31 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.94 66.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.0 p -73.65 101.2 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.6 mt -105.55 133.19 20.3 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.649 0.738 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 147.62 62.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.302 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.49 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -64.09 -21.1 66.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.418 ' HA ' ' NH2' ' A' ' 57' ' ' ARG . 3.7 t -73.39 -32.65 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.27 86.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.3 mm -58.0 130.47 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.33 -30.1 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -157.8 140.11 14.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.472 HG13 ' CG ' ' A' ' 126' ' ' GLN . 7.7 p -119.61 98.31 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -75.71 104.73 6.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.6 p -84.31 32.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.5 m -136.02 149.67 48.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.1 159.98 44.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.911 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -162.88 0.1 OUTLIER 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -78.17 41.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -135.0 20.47 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.444 ' C ' ' H ' ' A' ' 93' ' ' GLU . 2.0 tpp -130.46 136.97 29.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 11.36 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 91' ' ' MET . 4.9 tp10 71.9 54.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -99.4 136.66 39.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.19 42.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -134.06 24.45 3.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.3 p -135.33 157.83 45.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 23.2 p90 -160.83 145.79 14.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.9 136.03 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.4 mt -110.35 105.9 15.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -95.36 101.28 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 4.0 m -76.75 177.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.02 -22.53 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -88.25 34.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.92 61.39 1.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.458 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -139.64 122.44 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -97.55 136.42 37.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.421 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 68.3 m-85 -124.14 97.02 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.538 HG22 ' CH2' ' A' ' 42' ' ' TRP . 46.2 mt -77.27 116.5 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 8.0 mp -114.5 146.01 41.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 30.5 tt0 -124.02 113.05 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.2 p -86.06 -177.3 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.204 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.74 -65.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -134.05 174.04 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 51.9 p -60.25 -25.71 65.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.01 -39.02 79.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -80.93 -26.97 36.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 96' ' ' ASN . 2.8 tmtt? -70.55 -62.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.467 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -41.88 -42.4 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 4.5 t -56.96 -50.18 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.573 ' CE3' HD22 ' A' ' 47' ' ' LEU . 47.3 m95 -53.37 -63.5 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.5 t -41.55 -40.42 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.68 -42.25 64.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.32 -40.26 89.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.68 -65.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.472 ' CG ' HG13 ' A' ' 83' ' ' VAL . 11.3 mt-30 -48.2 -38.51 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.9 -40.94 95.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 129' ' ' VAL . 82.5 m -76.79 -44.85 31.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.458 ' O ' ' CG ' ' A' ' 130' ' ' ASP . 42.2 t -33.6 -48.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 131' ' ' SER . 21.8 m-20 -168.58 130.62 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 130' ' ' ASP . 11.7 t -31.12 99.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -107.34 -161.74 21.56 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 134' ' ' SER . 54.1 Cg_endo -69.71 3.08 2.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.381 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 133' ' ' PRO . 29.7 m -33.53 -63.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 53.2 p -103.08 139.6 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.6 p -87.26 130.88 34.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -173.08 162.85 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.89 -165.98 18.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -71.25 164.06 26.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.382 . . . . 0.0 110.86 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -146.22 155.64 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.88 -137.77 2.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -93.47 176.12 6.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -146.67 -179.88 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.65 150.73 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.78 80.11 5.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -115.83 144.53 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 p -98.83 144.88 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.12 123.13 16.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.3 mt -137.59 -178.14 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -99.53 147.67 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -52.37 64.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mt -64.98 138.13 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.452 ' CG ' HD22 ' A' ' 49' ' ' LEU . 10.9 mm100 -94.1 -38.11 11.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -171.83 135.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -137.16 133.17 34.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.98 166.23 32.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.71 100.2 10.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -130.7 173.49 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -99.66 151.49 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CB ' ' HG ' ' A' ' 110' ' ' LEU . 1.5 p90 -140.99 158.93 43.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.503 ' HE1' ' CE2' ' A' ' 42' ' ' TRP . 9.9 ptp -152.24 162.13 41.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.78 133.2 65.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.41 104.08 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.25 153.06 31.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.04 110.43 22.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.54 123.8 9.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.96 -45.17 6.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.5 m -49.02 -57.12 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.32 -165.23 32.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 178.14 4.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.647 2.232 . . . . 0.0 112.328 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.18 -67.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.57 -53.71 2.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.448 ' HG1' ' N ' ' A' ' 40' ' ' ALA . 5.4 t -65.46 158.86 25.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.124 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' N ' ' HG1' ' A' ' 39' ' ' THR . . . -74.93 120.22 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HB2' ' CE ' ' A' ' 27' ' ' MET . 35.7 mm-40 -48.74 -33.84 11.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CE2' ' HE1' ' A' ' 27' ' ' MET . 97.1 m95 -35.75 120.44 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -121.55 128.9 52.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -57.3 130.14 44.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 8.2 p -154.31 165.57 35.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 54.0 ttt180 -118.01 112.55 20.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.487 HD12 ' CD1' ' A' ' 60' ' ' LEU . 10.1 tp -84.25 122.5 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.9 tp -126.11 111.73 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.452 HD22 ' CG ' ' A' ' 19' ' ' GLN . 4.6 tt -95.36 97.8 10.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -100.16 159.2 15.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.517 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 1.7 ttp180 -88.56 141.46 28.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.58 166.45 11.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' GLY . 32.6 m -75.25 163.48 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -32.07 -37.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' VAL . . . -47.76 -66.16 2.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.431 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' CD ' ' HB2' ' A' ' 78' ' ' SER . 6.2 tp10 -110.01 156.88 19.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.574 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 6.4 ptp180 -63.17 -59.76 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 57' ' ' ARG . 11.8 m-85 -152.29 -175.03 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -150.71 132.57 15.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 ' CD1' HD12 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -107.5 134.64 50.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -120.59 149.25 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.4 m-85 -130.55 91.01 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -73.19 122.08 21.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.475 ' HB ' ' CD ' ' A' ' 72' ' ' LYS . 1.6 t -142.56 108.36 5.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.2 Cg_endo -69.79 170.28 59.4 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.327 0.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.453 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.79 1.11 4.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -10.16 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.76 148.26 44.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.039 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.0 t -75.9 -29.07 58.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -113.1 146.2 34.7 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.596 0.713 . . . . 0.0 110.818 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.42 35.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 56.8 tttt -82.37 -44.62 15.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.8 t -122.09 66.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.9 p -67.69 118.25 10.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.5 mt -119.7 110.68 36.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.87 31.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.451 HD13 ' CA ' ' A' ' 129' ' ' VAL . 0.4 OUTLIER -50.69 -28.66 9.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.429 ' HB2' ' CD ' ' A' ' 56' ' ' GLU . 38.6 t -62.57 -29.95 70.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.0 -35.1 57.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.44 138.23 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.62 -35.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.71 130.95 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.1 p -124.03 103.95 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -73.87 162.37 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 p -125.88 -23.12 4.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.2 m -106.6 113.19 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.472 ' HE1' ' N ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -85.48 163.13 45.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -163.51 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.2 mm? -72.2 65.22 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -135.03 14.87 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' A' ' 91' ' ' MET . 0.7 OUTLIER -166.53 155.28 9.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 53.4 Cg_endo -69.79 13.37 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 91' ' ' MET . 38.4 mt-10 65.93 54.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -79.62 9.28 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 38.97 40.54 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -133.45 37.88 3.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.0 p -144.86 161.18 39.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 11.5 p90 -158.75 137.39 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 60.5 t -97.3 144.95 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.2 mt -110.01 103.3 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.22 101.4 14.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.41 ' CG2' ' O ' ' A' ' 106' ' ' ALA . 1.7 m -82.87 160.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.25 -28.07 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -65.56 -29.58 70.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 110.24 10.84 21.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.41 ' O ' ' CG2' ' A' ' 102' ' ' VAL . . . -99.02 135.59 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 111.136 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 3.2 mp0 -106.52 140.95 38.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -126.28 107.65 10.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 31.0 mt -86.56 109.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -105.57 142.63 34.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.1 145.28 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 113' ' ' ILE . 36.0 p -125.89 154.9 42.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 112' ' ' THR . 47.5 mt -33.4 -63.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.432 ' CG ' HG23 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -146.25 -177.58 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.6 p -57.78 -30.92 66.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.47 ' HG ' ' N ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -61.73 -42.02 98.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.47 ' N ' ' HG ' ' A' ' 116' ' ' LEU . 20.7 mt-30 -73.88 -42.3 60.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -55.4 -69.39 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -42.42 -42.7 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.404 ' O ' ' OD1' ' A' ' 124' ' ' ASP . 1.6 m -55.57 -54.96 37.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.414 ' HA ' ' OD1' ' A' ' 124' ' ' ASP . 40.8 m95 -53.71 -61.3 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.9 t -39.96 -34.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.11 -57.94 5.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.434 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -56.62 -50.71 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.05 -64.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -53.37 -54.45 36.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -46.21 -19.26 0.38 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 86.4 m -95.11 -56.12 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.451 ' CA ' HD13 ' A' ' 77' ' ' LEU . 4.1 p -55.13 -36.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -61.15 -68.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.5 m -119.4 -59.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 136.64 -75.64 0.39 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -23.69 30.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t -49.37 139.88 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 30.3 t -171.94 132.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -128.26 145.8 50.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -142.96 165.53 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.89 175.93 32.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -139.11 160.04 40.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -115.34 163.64 15.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.33 -143.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -142.52 113.65 7.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.29 96.85 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.54 159.77 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.22 123.19 27.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.5 tptm -122.35 150.0 43.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LYS . 11.3 p -33.98 140.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -87.31 93.8 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' CD2' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -101.36 161.84 13.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' A' ' 17' ' ' ASP . 2.4 p -51.37 97.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' A' ' 16' ' ' VAL . 79.6 m-20 -30.85 -64.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -54.3 98.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -44.74 -63.24 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -152.64 166.06 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -153.93 141.47 19.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.29 164.22 35.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.535 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.89 105.17 14.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.22 173.46 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 25' ' ' ARG . 2.7 mpt_? -91.09 144.91 25.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.542 ' CZ ' HG22 ' A' ' 64' ' ' VAL . 1.1 p90 -128.91 158.87 37.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.47 ' HE3' ' CE2' ' A' ' 42' ' ' TRP . 5.8 ptp -160.36 163.18 33.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.5 t -121.18 143.4 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.47 111.31 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.33 -55.98 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.13 105.82 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.82 -60.22 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.87 -68.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 m -165.9 163.74 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.04 -162.08 8.96 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 124.09 10.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.631 2.221 . . . . 0.0 112.331 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.06 -170.37 52.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.2 59.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.5 p -113.25 169.18 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 111.143 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 42' ' ' TRP . . . -84.95 99.56 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' HB2' ' CE ' ' A' ' 27' ' ' MET . 66.2 mt-30 -38.61 -28.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.481 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 95.5 m95 -36.37 120.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -123.01 134.25 54.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -59.35 127.51 32.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.448 ' CB ' HG23 ' A' ' 64' ' ' VAL . 2.6 p -157.69 167.83 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 46.3 ttt180 -117.28 120.62 38.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.544 HD23 ' CE3' ' A' ' 121' ' ' TRP . 15.0 tp -90.21 114.53 26.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.3 tp -116.34 130.99 57.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD2' ' CD2' ' A' ' 58' ' ' PHE . 2.1 tt -117.13 104.5 11.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.521 ' C ' ' CD2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -132.38 146.04 51.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.514 ' N ' ' CE2' ' A' ' 58' ' ' PHE . 6.8 ptp180 -67.52 141.02 57.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.38 120.68 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 m -87.03 140.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 53.65 42.64 31.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -175.52 -135.32 2.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 58' ' ' PHE . 17.2 pt-20 -62.17 -176.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -76.49 -53.13 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CD2' ' C ' ' A' ' 50' ' ' ARG . 13.5 m-85 -142.08 177.0 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 20.5 ttp180 -158.46 123.26 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 77' ' ' LEU . 1.9 mm? -87.22 126.12 34.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -113.64 121.53 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 4.9 m-85 -103.24 93.07 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -76.83 114.24 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.542 HG22 ' CZ ' ' A' ' 26' ' ' PHE . 2.5 t -133.9 107.72 11.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.71 170.11 59.85 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.339 -0.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.442 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.83 2.52 3.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -99.51 -20.3 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.62 142.64 57.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -68.97 -35.18 76.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -107.08 143.91 28.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.565 0.697 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.446 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 53.9 Cg_endo -69.79 141.16 44.38 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.435 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 46.0 tttt -78.36 -45.77 21.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.44 64.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 81.7 p -72.29 105.16 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 76' ' ' PRO . 67.3 mt -113.63 135.34 21.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.401 ' N ' HG23 ' A' ' 75' ' ' ILE . 53.6 Cg_endo -69.8 144.03 52.49 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.289 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.476 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -56.98 -39.8 75.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.8 p -51.84 -35.3 44.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.26 -44.65 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 15.1 mm -57.93 127.8 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.63 -35.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -149.4 128.67 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.409 HG11 ' CD ' ' A' ' 126' ' ' GLN . 7.8 p -109.7 96.98 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -80.07 113.45 18.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -90.29 38.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.487 ' O ' ' CE ' ' A' ' 87' ' ' MET . 39.7 p -135.77 174.22 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -140.3 157.65 68.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -164.4 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.746 2.297 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -76.57 51.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.7 -51.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.483 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 16.9 ttm -80.35 141.17 52.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 91' ' ' MET . 53.8 Cg_endo -69.74 12.54 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 91' ' ' MET . 10.7 tt0 75.02 51.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -72.86 122.65 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.93 36.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -134.99 25.99 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.442 ' CG2' ' HA ' ' A' ' 111' ' ' GLU . 15.0 p -141.81 177.87 7.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.9 p90 -171.24 142.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 39.9 t -99.08 136.31 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.9 mt -109.54 103.52 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.53 102.66 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 3.3 m -83.82 173.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.12 -20.22 64.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -90.67 36.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 38.63 63.03 1.06 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -142.79 121.07 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.445 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 74.5 mt-10 -99.8 131.8 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -118.23 103.34 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.438 HG22 ' CH2' ' A' ' 42' ' ' TRP . 21.7 mt -83.56 112.88 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.2 mp -111.15 137.52 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.481 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 25.6 tt0 -107.45 110.24 22.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 p -84.75 -174.92 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.98 -64.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -141.35 -175.0 4.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.2 p -57.75 -34.47 69.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -61.92 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -57.57 -40.65 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -59.84 -69.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -42.92 -42.84 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 124' ' ' ASP . 2.4 t -57.46 -55.87 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.544 ' CE3' HD23 ' A' ' 47' ' ' LEU . 44.5 m95 -49.67 -56.4 10.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.2 t -49.54 -25.77 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.09 -56.32 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.439 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -56.4 -53.49 56.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.7 mt -54.75 -63.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.409 ' CD ' HG11 ' A' ' 83' ' ' VAL . 10.5 mm100 -51.96 -48.4 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.38 -34.24 54.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.515 ' SG ' ' CD1' ' A' ' 58' ' ' PHE . 24.5 m -74.42 -40.7 61.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 94.4 t -40.84 -50.59 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -121.72 -60.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 t -174.84 143.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -168.46 135.65 3.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.37 60.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 42.9 m -109.0 135.08 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 78.6 p -101.48 107.7 19.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -168.27 177.38 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.843 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -163.85 148.48 10.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.71 -130.96 3.59 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.538 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 t -165.45 155.2 12.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -140.2 121.13 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.63 164.61 24.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -69.85 84.96 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 pp -156.02 140.46 16.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.78 -55.88 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.6 39.84 14.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -110.93 58.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.8 m -54.91 162.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -125.86 89.51 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -147.51 161.83 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' ASP . 12.8 p -62.04 126.41 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' VAL . 3.7 m-20 -35.32 -64.94 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -51.48 128.21 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -92.73 -57.88 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HG2' ' CE2' ' A' ' 121' ' ' TRP . 5.0 tpm_? -152.37 144.36 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -146.68 120.8 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.6 170.81 33.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.85 101.05 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.21 173.63 10.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -98.76 141.2 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.538 ' CE1' HG22 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -130.44 162.89 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.452 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 10.2 ptp -154.82 164.59 38.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.6 t -122.54 125.06 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.15 102.86 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -168.97 160.87 10.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.29 103.1 15.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -127.83 152.35 47.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.63 155.33 39.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 t -104.83 148.42 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.81 -162.63 24.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 162.7 41.08 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.73 164.6 40.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.82 50.3 0.8 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.9 m -102.43 155.34 18.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.32 . . . . 0.0 111.174 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.42 151.6 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 42' ' ' TRP . 69.9 mt-30 -48.64 -37.3 17.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.522 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 99.2 m95 -34.33 135.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -124.18 130.0 51.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -58.99 131.99 52.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.435 ' CB ' HG23 ' A' ' 64' ' ' VAL . 14.0 p -157.91 167.05 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 20.2 ttp180 -122.98 115.02 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.519 ' HB3' ' CH2' ' A' ' 121' ' ' TRP . 10.1 tp -84.12 123.85 30.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 tp -127.94 111.51 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 tt -103.58 103.62 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -120.39 171.04 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -78.77 156.74 28.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.11 165.21 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 54' ' ' ALA . 29.7 m -78.6 160.78 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -33.62 132.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.24 -64.37 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.76 136.7 32.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.8 mmt-85 -63.24 -70.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 14.9 m-85 -137.99 167.81 21.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -139.28 129.61 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -105.37 138.05 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -124.54 139.33 53.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.2 m-85 -123.23 90.5 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -73.01 107.68 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.538 HG22 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -127.28 107.93 21.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 67' ' ' LYS . 53.3 Cg_endo -69.84 170.8 57.07 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.301 0.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.44 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.81 13.73 0.28 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 65' ' ' PRO . 37.7 mmtt -111.18 -24.59 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.38 147.77 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -69.66 -40.17 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -109.46 151.83 42.38 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.647 0.737 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.54 30.72 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.298 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -77.75 -47.27 19.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.8 t -121.3 62.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.8 p -67.44 107.36 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.8 mt -112.25 121.85 38.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.15 17.12 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.419 ' HB2' ' C ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -42.82 -39.21 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.9 m -51.78 -40.13 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.27 84.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.035 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.438 HD13 ' CG1' ' A' ' 102' ' ' VAL . 51.1 mm -59.53 133.57 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 pt -126.74 -34.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -146.44 138.3 24.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' CG1' ' OE1' ' A' ' 126' ' ' GLN . 2.7 p -125.15 97.39 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -67.59 91.66 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.43 ' CG2' HG11 ' A' ' 122' ' ' VAL . 64.0 p -82.81 37.62 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.4 m -160.48 120.51 2.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -98.39 162.41 21.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -166.53 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.496 ' N ' HD21 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.72 48.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -105.9 -37.34 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.498 ' CG ' ' HB2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -96.32 122.07 58.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -57.48 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.281 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -134.98 29.76 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.498 ' HB2' ' CG ' ' A' ' 91' ' ' MET . 6.3 mtpt -99.99 81.58 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -98.9 33.29 2.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.471 ' HB3' ' N ' ' A' ' 115' ' ' SER . 0.4 OUTLIER -127.46 43.08 3.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.0 p -136.32 143.64 44.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 9.7 p90 -141.02 138.65 33.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.7 t -95.42 134.58 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.43 HD23 ' CD1' ' A' ' 98' ' ' PHE . 23.3 mt -106.58 104.62 14.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.43 106.46 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.438 ' CG1' HD13 ' A' ' 80' ' ' ILE . 2.0 m -83.58 172.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.202 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.72 -42.01 35.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -33.86 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 113.91 76.12 0.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.542 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -169.12 133.6 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -104.56 139.07 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -124.29 105.37 9.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.452 ' HB ' ' CG ' ' A' ' 27' ' ' MET . 71.8 mt -86.15 109.74 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -107.32 139.19 42.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.522 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 20.2 tt0 -113.93 121.33 43.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.2 p -95.69 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 89.4 mt -50.07 -60.82 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.434 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -147.35 164.66 32.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.471 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 40.3 t -46.77 -29.36 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 34.2 mt -64.0 -42.22 97.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -79.01 -24.82 43.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -70.14 -58.51 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -46.48 -39.16 10.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 3.6 t -60.65 -48.72 80.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.519 ' CH2' ' HB3' ' A' ' 47' ' ' LEU . 52.8 m95 -59.14 -56.32 23.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.43 HG11 ' CG2' ' A' ' 85' ' ' THR . 41.1 t -45.19 -40.76 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.99 -51.74 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.3 -40.14 73.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.6 -59.47 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.478 ' OE1' ' CG1' ' A' ' 83' ' ' VAL . 7.8 mm100 -53.12 -36.13 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.89 -25.68 70.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 129' ' ' VAL . 71.0 m -83.9 -62.11 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 130' ' ' ASP . 12.3 p -36.51 -36.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.472 ' N ' HG11 ' A' ' 129' ' ' VAL . 1.0 OUTLIER -175.6 131.84 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.1 t -32.16 98.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -127.56 -144.48 5.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 112.21 3.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.724 2.283 . . . . 0.0 112.298 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 51.4 p -107.16 145.4 32.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 39.7 t -117.63 153.93 32.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -37.39 133.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -156.55 175.33 14.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.61 152.72 8.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 p -113.99 164.23 14.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.856 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -110.42 147.54 33.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.96 -161.16 10.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -155.35 175.23 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 mt -149.64 145.39 26.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.18 98.16 5.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.9 170.21 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -66.34 146.09 54.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.7 t -72.94 102.74 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -126.09 96.61 4.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.5 mm? -95.17 122.6 38.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 17' ' ' ASP . 84.5 t -142.11 132.69 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 16' ' ' VAL . 57.1 m-20 -34.43 -60.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 mm -67.34 115.7 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -81.93 -60.69 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -148.88 144.14 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -148.32 127.89 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.13 -173.42 22.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.71 98.48 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.93 173.84 10.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -98.09 139.96 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CE1' HG23 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -124.39 160.38 28.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.403 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 5.4 ptp -156.98 155.9 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.8 t -115.12 134.47 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.07 106.04 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -147.06 152.44 38.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -107.44 108.74 20.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -143.89 152.16 40.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.87 101.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 p -106.72 148.13 28.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.8 -150.57 6.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 105.83 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.99 -60.93 0.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.21 -117.89 2.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 m -39.11 146.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.17 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.98 142.75 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -42.32 -36.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 99.6 m95 -34.84 130.89 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -119.29 124.99 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -55.53 129.45 38.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.422 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 23.9 p -155.19 164.79 38.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 28.5 ttt180 -117.51 119.12 34.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 12.9 tp -91.55 116.44 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.3 tp -119.73 111.53 18.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 49' ' ' LEU . 3.6 tt -98.69 111.94 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -143.54 145.61 32.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 58' ' ' PHE . 7.2 ptm180 -67.82 142.03 56.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.79 158.89 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.28 146.85 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 48.27 44.03 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.24 -128.18 1.12 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 78' ' ' SER . 9.6 tp10 -71.38 168.5 17.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -62.39 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 6.9 m-85 -127.58 174.07 9.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -158.42 127.85 5.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 77' ' ' LEU . 1.7 mm? -93.93 140.55 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -126.45 122.66 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -104.35 91.57 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -71.62 106.75 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.439 HG23 ' CE1' ' A' ' 26' ' ' PHE . 2.5 t -126.5 109.3 23.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 170.42 58.56 Favored 'Cis proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.354 -0.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.466 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.3 Cg_endo -69.77 4.03 2.43 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.643 2.228 . . . . 0.0 112.359 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -119.01 10.32 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.82 -176.98 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 p -99.08 -28.33 13.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -132.0 149.73 74.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.642 0.734 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.21 37.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -81.25 -49.95 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -114.97 69.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.9 p -80.03 100.13 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 70.5 mt -110.54 138.73 21.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 75' ' ' ILE . 53.9 Cg_endo -69.78 150.41 68.06 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.531 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -65.64 -29.83 70.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.473 ' HB2' ' CG ' ' A' ' 56' ' ' GLU . 9.7 t -64.76 -35.2 80.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.49 70.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.456 HD12 ' CG1' ' A' ' 102' ' ' VAL . 45.2 mm -58.68 128.32 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.9 -30.23 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -152.11 143.28 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.557 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.0 p -129.24 112.98 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.47 155.91 38.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.7 p -134.99 26.45 3.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.6 t -153.06 168.08 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.44 ' CB ' ' HB2' ' A' ' 91' ' ' MET . 0.0 OUTLIER -130.85 156.46 79.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.891 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -162.45 0.09 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.4 mm? -75.19 49.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 91' ' ' MET . 12.5 pt-20 -134.05 -42.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.495 ' C ' ' H ' ' A' ' 93' ' ' GLU . 4.9 tpp -75.56 137.75 70.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.709 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.403 ' HG2' ' CG ' ' A' ' 94' ' ' LYS . 53.5 Cg_endo -69.75 17.09 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.373 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 91' ' ' MET . 1.3 tp10 74.26 55.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' CG ' ' HG2' ' A' ' 92' ' ' PRO . 48.0 mmtt -104.37 116.24 31.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.22 45.0 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.427 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 1.2 p-10 -134.97 36.62 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.4 p -152.76 155.04 36.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 7.1 p90 -159.82 144.98 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 73.2 t -100.16 128.32 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.519 HD22 ' CD1' ' A' ' 98' ' ' PHE . 19.1 mt -99.78 104.59 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -95.47 107.62 19.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 5.5 m -87.18 176.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -70.24 -21.85 62.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -88.4 32.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.8 62.73 1.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -140.71 121.74 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -96.82 140.64 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -130.82 96.04 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.421 ' C ' HD13 ' A' ' 110' ' ' LEU . 52.9 mt -75.97 112.4 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.4 mp -109.14 137.92 46.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.567 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 29.3 tt0 -115.27 103.33 10.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 66.5 p -81.21 178.78 8.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.04 -64.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -151.4 -175.28 5.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -55.84 -28.1 54.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.88 -41.28 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -85.46 -43.0 13.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 3.3 tmtm? -55.32 -61.03 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.479 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 13.0 t60 -50.82 -34.47 27.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -67.26 -42.37 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.563 ' CZ2' ' HB3' ' A' ' 47' ' ' LEU . 55.7 m95 -63.46 -59.14 5.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.2 t -40.7 -43.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.13 -43.32 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -61.21 -33.98 74.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.466 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 6.7 mt -87.99 -36.98 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.557 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 12.9 mm-40 -73.73 -26.03 60.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.09 -34.13 52.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 125' ' ' ILE . 2.2 p -85.19 -50.71 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.479 ' N ' HD13 ' A' ' 77' ' ' LEU . 13.5 p -39.44 -43.22 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 131' ' ' SER . 14.0 m-20 -173.69 132.8 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 130' ' ' ASP . 2.2 m -31.96 -60.47 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.92 -119.02 17.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -27.98 25.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.7 p -102.99 171.47 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 40.8 t -118.97 135.55 54.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -158.4 171.17 20.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -95.73 -47.21 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.25 173.98 27.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 t -143.46 160.79 39.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -123.62 157.32 34.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.43 136.35 4.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -83.54 84.88 7.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 9' ' ' LEU . 4.2 mm? -115.91 105.78 13.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.83 138.9 43.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.77 121.31 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -95.36 125.39 39.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 p -138.49 136.01 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -126.62 114.39 17.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.41 179.13 6.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.86 133.33 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -39.11 -59.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.4 mt -53.37 103.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 24.2 mm100 -60.73 -52.05 66.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 17.0 mtt85 -163.1 167.63 22.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' CD ' HD11 ' A' ' 48' ' ' LEU . 22.1 tt0 -153.47 143.79 22.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.18 166.19 35.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.82 98.98 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.45 173.0 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -93.84 140.99 29.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CE1' HG22 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -129.69 160.99 31.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.8 ptp -154.86 166.46 33.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.4 t -126.4 128.49 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.43 101.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -150.43 175.71 11.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.44 -49.85 9.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 45.59 27.2 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.5 -47.0 24.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.1 t -101.23 93.35 5.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -172.76 -172.34 38.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 136.22 32.28 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.244 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.72 97.68 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.48 -122.58 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -55.01 -57.79 10.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.084 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -171.32 137.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' TRP . 27.7 mt-30 -37.15 -40.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.582 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.4 m95 -34.21 133.62 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -122.53 126.67 48.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 133.81 56.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.418 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 10.2 p -158.37 175.08 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.1 ttt180 -124.91 115.8 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.476 HD12 ' CE2' ' A' ' 62' ' ' PHE . 11.3 tp -88.48 115.15 25.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD11 ' CD ' ' A' ' 21' ' ' GLU . 14.3 tp -111.05 124.23 51.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 2.7 tt -108.55 99.13 8.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -128.6 163.22 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 50.8 mtt180 -77.53 142.29 39.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.92 109.48 20.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.8 m -88.66 145.84 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 51.74 41.77 29.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.056 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.41 -113.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.536 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -97.12 -176.05 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -67.33 -63.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' A' ' 128' ' ' CYS . 35.2 m-85 -129.96 171.45 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -157.69 125.12 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD2' HD21 ' A' ' 77' ' ' LEU . 1.7 mm? -93.61 132.59 37.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -115.25 125.9 53.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.476 ' CE2' HD12 ' A' ' 47' ' ' LEU . 5.3 m-85 -107.87 90.46 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -73.73 111.83 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.513 HG22 ' CE1' ' A' ' 26' ' ' PHE . 2.0 t -130.74 107.02 15.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.584 0.706 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' A' ' 67' ' ' LYS . 53.8 Cg_endo -69.76 170.76 56.9 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.347 -0.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.5 Cg_endo -69.76 10.07 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' A' ' 65' ' ' PRO . 12.9 ttmt -108.48 -25.05 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.55 144.2 8.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -31.49 71.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -118.2 150.94 48.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 140.68 43.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.226 . . . . 0.0 112.344 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 47.3 tttt -84.57 -45.15 12.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.7 t -124.88 67.01 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.2 t -77.66 113.53 15.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.518 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 74.3 mt -115.57 133.84 22.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.56 48.15 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 129' ' ' VAL . 0.3 OUTLIER -65.63 -24.84 67.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 p -71.17 -34.06 70.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.55 -35.54 76.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.7 mm -57.59 130.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 pt -120.67 -33.5 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -149.69 120.34 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -116.5 101.97 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -96.21 155.65 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.424 ' C ' ' HE3' ' A' ' 87' ' ' MET . 38.1 p -116.32 32.77 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.6 p -131.65 119.52 21.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.424 ' HE3' ' C ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -108.25 156.59 38.2 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.832 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -174.48 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.5 81.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -134.99 -60.32 0.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.519 ' C ' ' H ' ' A' ' 93' ' ' GLU . 2.0 ptp -87.49 165.07 32.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 91' ' ' MET . 54.0 Cg_endo -69.79 20.35 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.655 2.237 . . . . 0.0 112.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 91' ' ' MET . 8.9 tt0 70.14 54.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -83.49 134.11 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -82.55 29.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.84 55.13 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.9 p -145.88 168.23 21.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 19.9 p90 -170.35 130.15 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 100' ' ' LEU . 12.1 t -93.68 139.91 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.485 ' N ' HG12 ' A' ' 99' ' ' VAL . 16.6 mt -113.1 110.57 20.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.36 101.07 12.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.7 m -75.56 176.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -73.44 -38.05 65.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.44 -25.83 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 102.43 61.3 0.73 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.65 126.24 16.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -98.05 127.08 43.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.518 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 60.8 m-85 -115.86 100.13 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.475 HG12 ' CG2' ' A' ' 99' ' ' VAL . 63.1 mt -81.13 112.97 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -111.83 145.28 39.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.582 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 32.8 tt0 -119.33 114.77 22.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 43.7 p -83.34 -176.28 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.33 -60.43 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -133.26 172.19 13.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.5 p -61.28 -26.13 67.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.18 -31.51 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -80.94 -35.0 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -62.11 -64.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -42.12 -43.44 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 4.8 t -54.6 -51.75 64.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.444 ' CZ3' HD22 ' A' ' 47' ' ' LEU . 44.4 m95 -56.84 -53.77 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.4 t -50.17 -37.11 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.14 -47.9 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 2.9 m-20 -57.0 -36.85 70.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 45.7 mt -79.18 -58.82 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -55.16 -33.72 63.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.86 -25.8 75.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 58' ' ' PHE . 49.5 m -89.42 -51.93 5.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 12.7 p -49.78 -40.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 131' ' ' SER . 6.8 m-20 -174.79 132.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.2 t -31.17 101.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -127.79 -120.2 2.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 134' ' ' SER . 54.3 Cg_endo -69.75 2.83 3.18 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.692 2.262 . . . . 0.0 112.399 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 133' ' ' PRO . 93.3 p -33.62 129.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 134' ' ' SER . 1.9 m -37.49 -46.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.823 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -164.8 168.51 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 t -54.77 163.89 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.72 -141.67 4.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -90.82 168.34 11.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.7 m -89.51 -50.26 6.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.56 145.98 10.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -161.01 166.15 28.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mt -113.31 102.53 10.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.72 -49.85 69.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.94 41.3 17.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -155.53 157.95 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.0 t -113.63 90.36 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -127.0 83.07 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.12 144.64 29.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -174.47 137.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.69 -56.89 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.9 mt -69.73 128.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -91.59 -54.59 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.514 ' HD2' ' CE2' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -155.56 150.71 26.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 12.0 tm-20 -153.21 142.8 21.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.05 162.7 35.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.94 99.5 9.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 111.068 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD11 ' CG2' ' A' ' 112' ' ' THR . 0.2 OUTLIER -134.24 173.92 11.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.06 142.78 26.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -130.36 157.51 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.49 ' HE3' ' CE2' ' A' ' 42' ' ' TRP . 9.2 ptp -152.0 162.89 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.4 t -122.81 126.71 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.84 104.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -170.37 165.91 8.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -99.88 169.82 8.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -155.36 173.45 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.05 -63.14 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -86.21 -54.5 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.19 -158.44 23.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -177.76 2.03 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.619 2.213 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.9 -123.47 1.04 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.86 -74.35 0.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 40' ' ' ALA . 25.3 m -83.0 152.65 25.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.337 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' N ' HG23 ' A' ' 39' ' ' THR . . . -48.78 145.51 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' TRP . 14.3 pt20 -42.17 -36.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.56 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.7 m95 -34.16 134.36 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -119.47 121.15 38.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -55.55 131.04 45.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.4 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 16.7 p -157.15 170.18 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -122.61 116.79 24.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.559 ' HG ' ' CH2' ' A' ' 121' ' ' TRP . 36.5 tp -84.72 126.23 33.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.0 tp -129.96 121.74 27.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tt -107.35 102.49 11.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -121.72 150.61 41.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 1.5 ptm85 -71.06 148.53 47.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 56' ' ' GLU . . . -88.34 165.66 14.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 54' ' ' ALA . 32.8 m -78.41 163.75 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -33.04 110.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.68 -58.28 0.64 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 4.2 tp10 -104.67 159.19 15.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -73.01 -73.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.545 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 27.8 m-85 -136.42 175.98 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -151.39 124.5 8.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -84.24 159.07 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -143.5 110.44 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.6 m-85 -101.93 88.35 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.403 ' C ' HG22 ' A' ' 64' ' ' VAL . 90.4 m-85 -71.67 116.59 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.3 t -134.97 109.79 10.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.2 Cg_endo -69.75 169.98 60.67 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.293 -0.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HB3' ' C ' ' A' ' 45' ' ' CYS . 54.0 Cg_endo -69.8 4.6 2.12 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -99.43 -23.06 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.43 147.61 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -73.68 -34.64 64.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -108.54 148.84 38.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 54.0 Cg_endo -69.76 136.54 33.26 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 25.9 tttp -80.19 -39.39 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.401 ' CG1' HD11 ' A' ' 75' ' ' ILE . 47.2 t -127.65 59.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.404 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 38.4 p -67.94 103.13 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 76' ' ' PRO . 42.2 mt -108.11 132.83 20.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.437 ' N ' HG23 ' A' ' 75' ' ' ILE . 53.6 Cg_endo -69.77 143.06 49.59 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -35.17 75.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.5 p -56.28 -30.8 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -63.22 -41.21 99.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.9 mm -57.73 127.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.87 -31.4 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -152.84 143.23 22.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.422 HG13 ' CG ' ' A' ' 126' ' ' GLN . 2.4 p -128.77 116.1 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -89.88 111.01 21.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.7 p -86.86 37.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -152.07 132.96 14.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 20.9 mmt -106.01 152.91 40.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -162.91 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.386 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.09 70.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -124.72 -66.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -86.11 140.47 34.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.552 0.691 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -54.03 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 95' ' ' ASP . 5.0 mm-40 -134.98 -42.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 93' ' ' GLU . 5.6 mptt -30.68 92.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 93' ' ' GLU . 2.0 m-20 -90.86 32.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.465 ' HB3' ' C ' ' A' ' 114' ' ' ASP . 0.4 OUTLIER -111.74 59.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.2 p -147.66 140.82 25.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CD1' HD21 ' A' ' 100' ' ' LEU . 5.9 p90 -144.49 142.89 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 83.9 t -100.93 137.64 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 98' ' ' PHE . 27.4 mt -113.02 101.7 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -89.75 96.92 10.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 6.0 m -75.86 172.48 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.8 pt-20 -65.11 -25.0 67.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -85.46 32.09 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.43 61.8 2.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -140.71 121.16 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.412 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 29.4 mt-10 -95.99 136.44 36.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -125.33 98.72 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.466 ' HB ' ' CG ' ' A' ' 27' ' ' MET . 70.6 mt -78.83 114.84 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.8 mp -109.96 137.58 47.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.56 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 61.2 tt0 -110.85 104.54 13.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.435 ' CG2' HD11 ' A' ' 24' ' ' LEU . 70.7 p -82.64 -173.52 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.74 -69.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.465 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 3.8 t70 -130.69 -177.58 4.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 95.8 p -57.95 -33.55 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -57.24 11.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -52.12 -46.29 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -58.49 -64.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -44.38 -41.77 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 t -61.29 -49.21 77.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.559 ' CH2' ' HG ' ' A' ' 47' ' ' LEU . 26.6 m95 -52.0 -60.86 2.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 97.8 t -42.67 -39.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.75 -49.97 66.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.36 -43.25 83.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.96 -68.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.422 ' CG ' HG13 ' A' ' 83' ' ' VAL . 28.8 mm-40 -49.49 -50.02 43.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -47.8 -20.51 1.22 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.455 ' SG ' ' CE1' ' A' ' 58' ' ' PHE . 54.8 m -98.29 -41.42 7.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.432 HG11 ' N ' ' A' ' 130' ' ' ASP . 1.6 p -38.9 -31.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 131' ' ' SER . 16.8 m-20 -169.42 -175.0 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 130' ' ' ASP . 38.6 p -34.65 98.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -118.02 -94.87 1.72 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 151.8 69.09 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.731 2.288 . . . . 0.0 112.339 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 86.3 p -114.99 -19.94 10.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.9 t -68.2 123.39 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.813 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' GLY . 32.6 p 35.26 42.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 t -97.15 -56.74 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.53 132.71 13.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -116.5 42.17 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m 46.35 42.12 10.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.72 -143.44 3.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 58.19 42.0 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 tp -87.25 112.9 22.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.99 142.13 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.59 135.25 38.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -95.23 86.38 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 p -149.56 141.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.96 109.99 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.7 mt -110.37 154.06 24.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 p -43.77 123.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.14 -58.41 4.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.89 129.33 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -79.17 -58.4 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -148.66 150.16 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -149.77 124.15 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.69 177.78 32.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.45 105.82 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' CD1' HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -134.96 173.55 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 mtm-85 -95.34 138.19 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CE1' HG23 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -127.73 160.79 30.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 ptp -158.27 157.96 33.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 HG21 ' CE2' ' A' ' 108' ' ' TYR . 99.4 t -119.1 134.03 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' N ' HG12 ' A' ' 28' ' ' VAL . . . -69.18 101.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -159.09 166.34 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.53 161.18 14.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -126.22 -49.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 68.28 43.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 m -109.97 -60.58 1.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.9 -164.08 33.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.4 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.52 108.7 0.28 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.78 -72.53 0.54 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.4 p -50.87 159.18 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 111.119 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -82.05 129.84 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' TRP . 7.9 tm0? -34.33 -43.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' GLN . 97.9 m95 -33.11 136.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -126.72 125.4 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -57.66 131.33 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.447 ' CB ' HG21 ' A' ' 64' ' ' VAL . 21.9 p -155.17 169.53 23.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 12.2 ttp180 -119.47 115.71 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.523 HD22 ' CE3' ' A' ' 121' ' ' TRP . 11.0 tp -84.42 119.48 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 tp -121.73 121.58 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' HG ' ' CD2' ' A' ' 60' ' ' LEU . 4.1 tt -113.3 98.75 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -116.42 156.92 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.567 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 24.4 ptt180 -81.0 141.86 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.19 157.0 16.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -128.62 140.4 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 73.09 42.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' GLU . . . 146.84 -126.05 2.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -35.55 153.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 110.87 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -78.95 -43.97 23.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 26.3 m-85 -145.26 164.49 31.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -136.52 130.81 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -101.63 132.47 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -122.85 137.2 55.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.5 m-85 -120.22 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -71.44 116.1 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.563 HG23 ' CE1' ' A' ' 26' ' ' PHE . 2.5 t -134.54 106.41 10.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.7 Cg_endo -69.8 170.16 60.02 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.348 -0.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.452 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.74 2.71 3.27 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.0 -27.0 14.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.03 149.17 19.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.0 m -76.02 -34.02 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -107.82 140.26 21.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.06 39.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -81.61 -46.2 14.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.31 62.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 t -70.4 112.01 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.1 mt -118.78 126.91 26.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.07 32.09 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.57 -38.71 6.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.1 p -54.5 -38.36 66.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.63 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mm -58.65 134.66 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 pt -131.27 -30.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -153.05 137.66 16.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG12 ' CG ' ' A' ' 126' ' ' GLN . 7.3 p -123.94 109.29 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -43.82 -51.44 7.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.48 HG22 ' CG2' ' A' ' 122' ' ' VAL . 1.6 p 50.93 30.43 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.1 m -157.62 133.0 8.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.465 ' HE3' ' CG2' ' A' ' 99' ' ' VAL . 31.1 mmt -107.87 139.51 20.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.721 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -172.92 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.411 HD11 ' C ' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -74.39 61.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -122.3 -59.29 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.11 138.7 81.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.505 0.669 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.448 ' HG2' ' H ' ' A' ' 93' ' ' GLU . 53.5 Cg_endo -69.75 -63.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.26 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.448 ' H ' ' HG2' ' A' ' 92' ' ' PRO . 13.8 tt0 -134.99 8.98 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HE3' ' N ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -73.86 64.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.98 33.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.441 ' HA ' ' CD ' ' A' ' 118' ' ' LYS . 1.2 p-10 -124.18 43.95 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.0 p -134.84 151.55 51.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 11.7 p90 -151.23 137.06 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 37.4 t -93.69 140.98 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 98' ' ' PHE . 26.7 mt -115.11 106.19 13.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.09 97.82 10.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 5.8 m -76.65 176.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 3.8 pt-20 -67.34 -27.28 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 56.4 t-20 -84.21 32.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.87 61.33 1.96 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.475 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -136.99 122.09 19.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.724 0.297 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.482 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 18.8 mt-10 -96.49 133.62 40.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.463 ' CE2' HG21 ' A' ' 28' ' ' VAL . 48.1 m-85 -123.49 98.47 5.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.3 mt -78.21 112.57 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.47 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mp -106.47 144.04 33.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 42.2 tt0 -120.5 105.4 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.406 HG22 ' CD1' ' A' ' 24' ' ' LEU . 81.6 p -88.13 -179.1 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.488 ' CG1' ' HG3' ' A' ' 117' ' ' GLN . 39.0 mm -49.66 -66.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 115' ' ' SER . 43.1 m-20 -157.9 174.79 14.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 114' ' ' ASP . 20.6 p -33.09 -38.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.821 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 114' ' ' ASP . 4.2 mp -56.39 -66.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.488 ' HG3' ' CG1' ' A' ' 113' ' ' ILE . 6.8 mm100 -56.76 -46.05 81.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 96' ' ' ASN . 5.4 tttm -53.4 -68.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -45.54 -41.76 10.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.7 t -56.5 -46.5 80.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.523 ' CE3' HD22 ' A' ' 47' ' ' LEU . 53.7 m95 -63.29 -57.46 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 85' ' ' THR . 96.7 t -36.4 -41.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.23 -49.77 32.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.99 -40.48 44.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mt -81.12 -64.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.462 ' CG ' HG12 ' A' ' 83' ' ' VAL . 10.1 mt-30 -48.48 -27.98 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.34 -29.43 56.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' VAL . 60.4 m -89.42 -48.82 7.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 128' ' ' CYS . 9.8 p -35.33 -35.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' CYS . 38.5 p30 -162.14 -175.03 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.1 t -50.76 96.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -145.12 146.32 16.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 91.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.6 m -101.17 83.04 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 60.1 p -172.43 132.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -125.96 176.9 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.819 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -151.3 136.23 17.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.94 -82.18 0.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 6' ' ' SER . 47.9 p 46.48 42.21 10.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 5' ' ' SER . 62.0 m -35.02 -44.85 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.38 160.21 18.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -91.61 -60.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 tp 68.23 41.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.62 141.37 49.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.75 -59.72 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -82.85 102.41 11.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 p -133.24 142.73 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -120.6 114.9 22.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -100.38 174.5 6.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 p -139.04 147.09 25.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.7 -56.99 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -62.23 107.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -75.39 -45.29 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -163.04 138.15 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -148.38 138.0 22.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.13 160.2 33.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.53 104.53 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' CYS . 0.1 OUTLIER -137.29 172.31 13.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -94.46 154.73 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.554 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -144.73 149.49 35.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.419 ' HE1' ' C ' ' A' ' 40' ' ' ALA . 4.2 ptp -146.62 152.73 39.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.9 t -113.98 128.09 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.64 102.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -144.49 173.39 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.42 129.84 50.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.87 -176.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.62 -40.11 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 p -82.26 106.1 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.73 -157.76 46.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -44.51 2.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.335 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.01 -175.61 22.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.76 60.95 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.1 p -102.56 -44.45 5.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' C ' ' HE1' ' A' ' 27' ' ' MET . . . 62.54 42.83 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.37 121.33 27.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.473 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 60.1 m95 -76.65 160.02 29.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -129.61 129.82 44.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -62.14 130.41 45.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 5.0 p -155.96 175.91 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 32.2 ttp180 -130.79 114.18 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD23 ' CE3' ' A' ' 121' ' ' TRP . 12.9 tp -84.23 117.32 23.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.6 tp -124.06 115.17 20.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 tt -100.61 97.7 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -112.39 159.91 18.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -89.77 135.98 33.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.06 151.41 20.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.41 153.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.19 43.41 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 161.48 -100.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 78' ' ' SER . 5.1 tp10 -87.7 153.54 21.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' CG ' ' H ' ' A' ' 58' ' ' PHE . 3.0 ptt85 -71.78 -57.96 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 20.4 m-85 -128.51 166.51 18.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -157.97 129.91 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD22 ' CD2' ' A' ' 77' ' ' LEU . 1.6 mm? -94.12 145.25 24.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -129.12 141.94 51.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.6 m-85 -123.43 78.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.421 ' C ' HG22 ' A' ' 64' ' ' VAL . 97.6 m-85 -61.48 113.65 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 26' ' ' PHE . 1.7 t -133.16 104.94 12.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.4 Cg_endo -69.8 169.97 60.92 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.325 0.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.436 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.2 Cg_endo -69.71 0.48 5.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.377 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.71 -23.79 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.18 145.3 37.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -71.74 -31.65 66.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 14.3 mtp-105 -112.96 142.34 27.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.83 67.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -90.17 -36.85 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -128.16 59.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.0 p -66.78 100.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.51 130.29 23.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.159 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 150.0 68.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.382 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.487 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -70.01 -7.04 37.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.426 ' HB2' ' CD ' ' A' ' 56' ' ' GLU . 5.3 t -89.23 -24.34 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.59 76.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.426 HD13 ' CG1' ' A' ' 102' ' ' VAL . 48.3 mm -58.11 135.99 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.22 -32.46 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -156.68 132.24 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.8 p -113.39 97.08 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -70.86 141.0 51.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.0 p -113.3 -15.72 12.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.471 ' O ' ' CE ' ' A' ' 87' ' ' MET . 13.1 t -88.97 168.4 12.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -132.69 166.4 29.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.719 . . . . 0.0 110.864 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 90' ' ' GLU . 53.8 Cg_endo -69.76 -163.15 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.98 8.82 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.476 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 2.3 pt-20 -116.06 39.73 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.422 ' SD ' ' NZ ' ' A' ' 94' ' ' LYS . 1.3 tpt -154.41 136.64 9.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.514 0.673 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.06 3.0 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 64.12 54.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.422 ' NZ ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -89.22 146.46 24.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -89.83 41.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 112' ' ' THR . 22.6 t30 -129.09 18.32 6.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.37 161.7 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 18.4 p90 -164.92 143.29 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 59.9 t -101.55 132.04 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.4 mt -105.89 106.38 16.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -95.82 109.07 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 7.6 m -86.79 175.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.88 -19.06 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -91.42 30.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.35 58.37 3.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.456 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -136.08 122.14 20.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 39.0 mt-10 -95.91 141.97 28.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -129.51 97.99 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.41 ' C ' HD12 ' A' ' 110' ' ' LEU . 48.9 mt -78.13 111.88 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mp -113.59 142.58 45.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 15.3 tt0 -120.21 136.46 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.502 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 36.5 p -109.98 175.06 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.21 -70.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -127.21 173.02 10.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.1 m -56.11 -28.67 58.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.427 ' C ' HD11 ' A' ' 116' ' ' LEU . 1.6 pp -62.96 -41.92 99.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.41 ' CD ' HD12 ' A' ' 116' ' ' LEU . 14.1 mm-40 -72.6 -42.1 64.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.468 ' CD ' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -58.29 -66.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.468 ' N ' ' CD ' ' A' ' 118' ' ' LYS . 11.3 t60 -44.94 -33.5 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -65.21 -51.78 58.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.572 ' CE3' HD23 ' A' ' 47' ' ' LEU . 46.7 m95 -57.2 -58.07 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.4 t -44.32 -38.78 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.21 -44.99 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.89 -38.46 78.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.0 mt -79.14 -54.64 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -57.57 -34.12 68.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -68.73 -24.76 75.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 85.3 m -95.19 -53.87 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.482 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 5.1 p -38.1 -36.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -134.97 -172.49 3.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.4 t -115.55 -46.65 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.86 -108.22 0.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 157.89 58.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.731 2.287 . . . . 0.0 112.366 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.2 t -147.38 140.86 25.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.9 m -99.22 91.82 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -136.28 133.93 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -169.18 165.62 10.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.48 48.81 0.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.444 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -135.3 147.06 49.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 p -154.86 156.38 36.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.49 -170.07 43.14 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -133.23 120.72 21.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -57.25 133.71 55.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -94.98 90.29 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -34.23 -49.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -107.8 176.17 5.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 p -137.5 133.93 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -127.07 41.53 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -160.65 171.97 17.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.5 t -110.26 138.77 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.44 -60.06 1.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -52.65 114.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -76.58 -45.86 28.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -164.44 157.73 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -154.12 138.91 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.97 178.22 37.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.87 105.07 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.88 173.39 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.49 146.66 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -132.96 149.09 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.438 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 8.0 ptp -145.29 164.91 29.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.2 t -124.28 127.64 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.98 102.05 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -146.67 150.58 35.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -109.06 101.41 10.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -153.42 147.68 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.26 93.61 9.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.6 t -88.4 -55.93 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.64 -163.2 22.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 165.67 30.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.35 -151.43 19.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.59 165.1 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.466 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -60.75 -54.03 50.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.6 127.98 53.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 42' ' ' TRP . 56.4 tp60 -37.52 -36.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' GLN . 98.9 m95 -34.46 133.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -119.2 126.51 51.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 130.76 47.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.2 p -158.35 172.2 18.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 35.2 ttt85 -119.19 138.44 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.552 HD21 ' CE3' ' A' ' 121' ' ' TRP . 11.7 tp -107.38 112.64 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.5 tp -116.16 126.28 53.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 58' ' ' PHE . 4.0 tt -117.18 107.26 14.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -132.78 160.12 37.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 41.6 mtm180 -67.63 139.54 56.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 166.21 19.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' ALA . 34.8 m -75.92 159.26 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -35.5 112.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.08 -43.45 1.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -122.49 171.25 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.5 mmt-85 -84.69 -67.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.578 ' CD2' HD22 ' A' ' 49' ' ' LEU . 15.8 m-85 -135.81 178.91 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.437 ' CD ' ' OE2' ' A' ' 61' ' ' GLU . 20.3 ttm180 -158.19 122.7 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD22 ' CD2' ' A' ' 77' ' ' LEU . 1.6 mm? -90.22 147.71 23.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' OE2' ' CD ' ' A' ' 59' ' ' ARG . 15.3 mp0 -137.46 133.37 34.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 2.1 m-85 -112.47 98.56 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.92 101.68 6.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.2 t -121.94 106.35 36.7 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.597 0.713 . . . . 0.0 111.158 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.75 170.38 58.7 Favored 'Cis proline' 0 C--O 1.231 0.132 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.326 -0.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.444 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.77 4.85 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -109.55 -15.25 14.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.64 149.64 13.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -68.14 -33.65 74.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -124.65 152.47 69.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.72 . . . . 0.0 110.858 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.47 45.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -85.16 -45.11 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.1 t -118.18 63.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.3 t -75.11 113.87 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.439 HG21 ' CG1' ' A' ' 102' ' ' VAL . 76.1 mt -121.36 134.68 24.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.67 0.748 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 150.72 69.01 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.402 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.37 -35.29 79.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -62.5 -32.32 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.64 96.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.7 125.23 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.09 -34.54 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -141.78 128.77 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 p -124.42 111.78 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -90.75 164.13 14.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.421 ' C ' ' HE3' ' A' ' 87' ' ' MET . 82.1 p -126.91 9.14 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.411 ' C ' ' HE2' ' A' ' 87' ' ' MET . 1.9 p -140.45 111.01 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.473 ' HG3' ' CG2' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -99.64 151.15 37.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.7 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 89' ' ' LEU . 53.9 Cg_endo -69.79 -13.9 35.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.371 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -41.72 165.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' A' ' 91' ' ' MET . 17.0 mt-10 -72.93 9.39 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.515 ' C ' ' O ' ' A' ' 90' ' ' GLU . 11.4 tpp -28.09 135.37 0.14 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.547 0.689 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 9.57 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.389 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 91' ' ' MET . 12.4 tt0 75.0 54.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -93.56 -39.32 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 74.75 50.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -134.82 27.88 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 61.6 p -130.7 168.5 17.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -161.57 135.28 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 87' ' ' MET . 88.6 t -89.47 152.26 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 106' ' ' ALA . 26.0 mt -127.71 96.64 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -89.98 100.33 13.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.439 ' CG1' HG21 ' A' ' 75' ' ' ILE . 3.4 m -76.98 159.51 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -48.29 -40.93 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -59.1 -28.18 66.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.68 50.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 100' ' ' LEU . . . -130.77 123.3 28.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 55.9 mt-10 -95.01 130.71 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.497 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 71.8 m-85 -119.79 98.87 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.438 ' HB ' ' CG ' ' A' ' 27' ' ' MET . 73.3 mt -77.27 115.87 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 108' ' ' TYR . 7.3 mp -111.77 140.21 46.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -111.31 112.58 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 42.8 p -85.53 172.29 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.7 mt -54.48 -56.97 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -146.47 170.25 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.8 p -52.04 -22.8 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.502 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 5.2 mp -72.56 -52.25 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -61.8 -32.87 73.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -59.73 -65.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -46.01 -41.73 12.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.445 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 1.6 m -56.29 -52.83 63.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.552 ' CE3' HD21 ' A' ' 47' ' ' LEU . 38.6 m95 -58.96 -62.85 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.5 t -37.69 -38.52 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.53 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 121' ' ' TRP . 40.0 m-20 -60.24 -38.46 83.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 121' ' ' TRP . 4.3 mp -80.46 -53.27 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -58.28 -37.38 74.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.4 -23.79 71.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' ASP . 78.7 m -94.93 -57.74 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.457 ' O ' ' CG ' ' A' ' 130' ' ' ASP . 5.7 p -34.88 -33.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.485 ' O ' ' C ' ' A' ' 131' ' ' SER . 7.0 m-20 -171.3 131.63 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.1 t -31.46 98.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 130' ' ' ASP . . . -124.57 172.63 16.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 86.22 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 t -174.28 112.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.3 t -146.16 155.78 42.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -135.32 135.68 40.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 t -77.92 -48.59 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.71 106.35 0.29 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -111.48 -44.91 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -52.62 -46.33 67.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.16 165.01 7.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 m120 57.63 44.86 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.88 71.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.87 110.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.97 137.27 54.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.19 42.75 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.6 t -87.94 111.09 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -102.28 101.13 11.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -150.04 170.32 19.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 p -67.34 129.63 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -44.52 -60.2 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -60.9 103.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.577 ' HG2' ' CE1' ' A' ' 58' ' ' PHE . 13.8 mm100 -71.63 -40.11 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.76 147.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -152.55 145.41 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.96 168.46 39.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.13 102.11 11.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER -137.11 173.33 11.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -95.12 149.75 20.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CE1' HG22 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -137.89 159.7 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.8 ptp -156.02 162.45 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.94 127.04 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.14 103.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -154.12 168.38 26.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.82 143.99 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.66 169.2 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.95 83.46 6.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -119.41 81.9 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.79 -157.59 52.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.29 6.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.84 -160.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.47 40.51 0.57 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 t -151.56 177.72 10.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.741 0.305 . . . . 0.0 111.174 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.01 93.94 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -99.97 123.8 44.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 72.6 m95 -78.04 146.08 35.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -123.39 129.31 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -59.16 130.52 47.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' LEU . 14.8 p -153.89 174.73 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -126.59 113.7 17.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.541 HD23 ' CE3' ' A' ' 121' ' ' TRP . 14.4 tp -83.5 115.31 22.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.431 HD12 ' CD ' ' A' ' 50' ' ' ARG . 15.7 tp -123.64 125.71 45.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' CD2' ' CD1' ' A' ' 58' ' ' PHE . 4.3 tt -109.49 103.94 12.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.431 ' CD ' HD12 ' A' ' 48' ' ' LEU . 5.6 mmm180 -116.9 151.21 37.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.584 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 26.8 ptt180 -65.91 153.17 42.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.37 166.38 11.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' ALA . 32.1 m -81.74 162.16 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -34.28 108.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.78 -40.46 1.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -127.35 169.23 13.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -80.35 -74.7 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.584 ' CD1' ' HA ' ' A' ' 51' ' ' ARG . 12.2 m-85 -129.67 -173.3 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -158.02 131.25 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD23 ' CD2' ' A' ' 77' ' ' LEU . 2.3 mm? -95.7 143.78 26.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.93 132.4 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.9 m-85 -114.69 91.15 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -75.48 107.76 7.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.52 HG22 ' CE1' ' A' ' 26' ' ' PHE . 2.2 t -128.7 105.72 18.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.78 170.13 60.06 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.328 -0.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.92 7.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.742 2.295 . . . . 0.0 112.336 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.43 -24.66 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.16 139.63 56.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -68.71 -32.15 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -107.66 143.12 26.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.444 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 53.9 Cg_endo -69.75 136.87 34.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 33.9 tttm -76.9 -40.82 46.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 88.0 t -127.4 61.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 36.5 p -65.61 109.91 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.416 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 82.6 mt -117.22 127.53 26.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.49 67.2 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 129' ' ' VAL . 0.2 OUTLIER -56.68 -42.8 79.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 m -51.28 -31.25 20.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -60.18 -48.56 81.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.0 mm -58.63 134.08 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 pt -131.63 -31.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -144.72 120.01 10.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -116.66 106.24 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -95.16 153.7 17.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.2 p -121.31 28.46 7.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.0 p -130.28 147.66 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.09 155.13 80.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -169.51 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.69 78.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -132.52 -43.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.96 154.74 44.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -87.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.752 2.301 . . . . 0.0 112.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -134.25 55.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -95.39 91.34 6.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -83.18 31.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.45 ' HB3' ' N ' ' A' ' 115' ' ' SER . 4.2 p-10 -128.28 45.86 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 p -138.59 156.83 47.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 7.6 p90 -162.8 141.01 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.9 t -97.27 146.38 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 98' ' ' PHE . 26.6 mt -120.55 99.77 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -90.3 99.56 12.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.04 -179.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 79' ' ' ALA . 3.0 pt-20 -77.25 -18.07 57.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -82.58 -11.17 58.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.3 44.72 5.22 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.13 126.18 43.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.095 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -98.65 124.86 43.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.416 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 57.5 m-85 -113.73 104.79 12.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 55.5 mt -85.29 110.18 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.0 mp -105.75 144.15 32.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 55.0 tt0 -118.56 103.08 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.0 p -78.69 163.19 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 97.5 mt -42.54 -64.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.415 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 5.8 m-20 -139.13 167.57 21.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.45 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 18.9 p -48.82 -37.53 19.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.86 -40.26 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -74.58 -41.34 60.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -53.07 -69.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -42.35 -42.71 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -55.42 -44.35 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.541 ' CE3' HD23 ' A' ' 47' ' ' LEU . 43.1 m95 -66.12 -54.77 21.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 72.8 t -41.83 -42.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.19 -40.82 74.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.55 -30.95 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.3 mt -94.99 -34.17 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.404 ' HA ' ' CG1' ' A' ' 129' ' ' VAL . 12.5 mt-30 -73.36 -27.27 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 131' ' ' SER . . . -74.74 -28.14 63.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 129' ' ' VAL . 21.3 p -93.16 -50.04 5.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.371 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.489 ' N ' HD11 ' A' ' 77' ' ' LEU . 10.5 p -37.5 -45.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -92.06 -61.21 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 127' ' ' GLY . 1.8 m -169.31 106.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 131' ' ' SER . . . -35.67 123.47 0.67 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.05 15.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.308 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 60.3 p -77.53 174.17 11.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.9 t -137.64 147.46 44.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -150.72 165.4 33.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 p -93.56 150.21 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.41 102.77 0.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -83.34 47.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -43.14 -41.54 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.1 112.08 0.94 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -156.98 148.89 22.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 9' ' ' LEU . 2.3 pt? -173.59 161.9 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 70.58 37.28 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.91 -62.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 mptt 55.66 41.2 30.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -111.4 138.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -140.84 105.04 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -157.78 143.22 17.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.6 t -52.09 124.88 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -64.95 -49.79 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.0 mt -74.06 104.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -73.95 -50.28 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.54 140.78 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -150.9 129.08 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.67 177.3 38.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.2 114.65 27.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.05 173.61 11.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -98.25 140.84 31.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.56 ' CE1' HG22 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -129.56 159.58 35.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.5 ptp -154.26 159.66 41.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG22 ' CE2' ' A' ' 108' ' ' TYR . 93.9 t -122.85 126.47 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.86 101.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -147.08 156.55 43.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.68 142.22 47.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.14 170.43 13.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.63 80.31 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.7 m -86.36 -57.12 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.803 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.1 -156.83 23.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 85.71 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.32 159.24 53.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.73 -81.39 0.6 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.2 p -63.26 173.28 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.37 149.28 44.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' TRP . 34.8 tt0 -61.25 -34.78 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' GLN . 98.8 m95 -34.58 134.68 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -124.31 126.63 46.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.43 130.44 46.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.403 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 1.8 p -158.54 171.86 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.8 ttt180 -124.99 124.36 41.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.555 HD23 ' CE3' ' A' ' 121' ' ' TRP . 13.3 tp -92.91 114.3 26.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.424 HD21 ' NE ' ' A' ' 50' ' ' ARG . 36.4 tp -113.85 119.34 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 1.8 tt -108.06 99.8 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' NE ' HD21 ' A' ' 48' ' ' LEU . 59.5 mtm180 -126.85 162.81 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.555 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 8.7 mmt85 -70.44 155.68 40.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.1 106.64 14.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.42 147.73 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 56.5 50.71 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.67 -135.99 3.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 78' ' ' SER . 7.3 tp10 -63.48 166.75 6.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -64.58 -60.85 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 9.0 m-85 -126.83 173.49 9.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 76' ' ' PRO . 1.9 ttt85 -158.39 135.57 9.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.508 HD22 ' CD2' ' A' ' 77' ' ' LEU . 1.3 mm? -100.69 141.97 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -126.98 122.85 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.4 m-85 -104.23 83.43 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.425 ' C ' HG23 ' A' ' 64' ' ' VAL . 98.6 m-85 -67.21 113.2 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 26' ' ' PHE . 1.4 t -133.0 110.2 12.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 170.97 55.82 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.397 -0.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HB3' ' C ' ' A' ' 45' ' ' CYS . 53.8 Cg_endo -69.71 6.16 1.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -108.61 -4.04 17.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.01 149.22 37.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.9 p -76.1 -31.96 58.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -112.82 141.13 24.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 138.44 37.89 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -80.48 -43.16 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -122.22 63.6 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.3 p -68.75 101.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.2 mt -106.95 129.12 24.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.702 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.47 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 53.3 Cg_endo -69.77 151.41 68.98 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.508 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -65.56 -23.7 66.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.421 ' HB2' ' CD ' ' A' ' 56' ' ' GLU . 30.6 t -73.95 -32.61 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.21 93.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.043 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.446 HD11 ' CG1' ' A' ' 102' ' ' VAL . 38.0 mm -59.75 108.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.37 -28.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -156.3 152.39 27.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.463 HG13 ' CG ' ' A' ' 126' ' ' GLN . 9.7 p -123.22 96.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -77.31 98.79 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.8 p -82.8 25.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 m -129.38 152.58 48.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.516 ' N ' ' SD ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -147.63 161.05 36.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.542 0.687 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 87' ' ' MET . 53.9 Cg_endo -69.78 -162.97 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.2 mm? -74.76 57.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -135.0 28.88 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.491 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 5.7 ttm -147.82 142.41 16.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 91' ' ' MET . 53.9 Cg_endo -69.76 -57.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' C ' ' CG ' ' A' ' 94' ' ' LYS . 67.4 mm-40 -134.57 -31.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.469 ' CG ' ' C ' ' A' ' 93' ' ' GLU . 2.0 mttp 67.7 37.39 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -34.82 79.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 112' ' ' THR . 0.3 OUTLIER -134.94 66.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 p -143.12 152.42 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.5 p90 -167.59 146.58 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 17.3 t -100.96 144.22 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.6 mt -118.62 109.42 16.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -96.02 110.76 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 106' ' ' ALA . 7.5 m -89.44 177.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -26.25 67.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -86.05 29.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.49 60.97 2.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . . . -136.1 121.81 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.731 0.3 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 16.6 mt-10 -93.62 137.71 32.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.442 ' CE2' HG22 ' A' ' 28' ' ' VAL . 37.8 m-85 -127.33 95.68 4.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 110' ' ' LEU . 17.9 mt -76.64 115.12 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.9 mp -110.85 143.6 41.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -126.27 103.66 7.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.491 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 10.2 p -81.13 175.08 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 98.0 mt -50.24 -74.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -130.26 167.19 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.8 t -49.71 -39.22 36.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.7 mt -53.12 -38.89 63.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -83.2 -38.77 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.499 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.4 OUTLIER -65.84 -62.75 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.499 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.0 t60 -42.9 -35.37 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.2 t -69.45 -43.69 72.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.555 ' CE3' HD23 ' A' ' 47' ' ' LEU . 36.9 m95 -54.78 -62.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.9 t -42.29 -37.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.3 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.406 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 2.8 m-20 -60.24 -45.37 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mt -70.08 -63.83 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 126' ' ' GLN . 0.0 OUTLIER -52.9 -36.35 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.473 ' HA2' ' CB ' ' A' ' 131' ' ' SER . . . -75.51 -13.72 82.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.484 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 33.5 m -99.58 -22.07 15.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.476 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 12.2 p -89.9 -48.81 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.456 ' N ' ' CG1' ' A' ' 129' ' ' VAL . 8.0 t70 -131.13 61.87 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.473 ' CB ' ' HA2' ' A' ' 127' ' ' GLY . 0.3 OUTLIER -178.03 138.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 145.47 94.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.525 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 2.74 3.22 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.389 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.1 m -76.11 52.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.0 m -128.11 142.11 51.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 m -155.25 167.36 30.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m -130.26 157.34 42.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.31 167.34 10.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 m -152.28 173.23 15.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -136.38 164.95 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.3 44.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -45.8 -54.35 8.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -172.43 128.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.78 78.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.83 129.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 108.13 20.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -138.44 149.53 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.167 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -57.88 104.16 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 mt -124.63 164.03 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.9 149.21 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -40.78 -56.55 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.8 mt -60.39 111.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -64.32 -51.9 61.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -172.32 152.61 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -146.36 150.55 35.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.27 176.5 42.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.36 108.99 18.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.75 172.84 12.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -94.71 131.87 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CE1' HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -122.93 154.59 38.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.1 ptp -152.73 163.52 39.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.2 t -126.0 122.65 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.09 102.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.04 149.43 30.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.61 103.03 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.43 157.24 45.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.51 86.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.5 p -111.31 -57.67 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.52 -169.72 42.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 178.78 4.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.41 -129.96 3.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.41 -51.86 0.8 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.1 p -107.03 176.95 5.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.364 . . . . 0.0 111.1 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.7 148.53 49.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' TRP . 10.4 mt-30 -72.19 -30.79 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.551 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 98.2 m95 -36.69 141.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -134.31 133.24 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -61.75 127.6 32.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 26' ' ' PHE . 31.0 p -158.78 176.45 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -126.17 131.78 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.466 HD23 ' CH2' ' A' ' 121' ' ' TRP . 12.9 tp -101.74 114.52 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.2 tp -117.35 119.39 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.499 ' CD2' ' CD2' ' A' ' 58' ' ' PHE . 4.4 tt -104.75 116.47 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.421 ' C ' ' CD2' ' A' ' 58' ' ' PHE . 23.9 ptt85 -140.1 147.29 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 10.3 ptt180 -68.02 146.25 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.45 127.62 44.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -102.92 137.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 56.06 44.96 24.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.88 -78.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -136.56 178.34 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -63.09 -61.39 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.499 ' CD2' ' CD2' ' A' ' 49' ' ' LEU . 7.9 m-85 -138.27 179.49 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -157.96 126.12 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' A' ' 77' ' ' LEU . 1.8 mm? -93.94 122.99 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -104.46 134.33 47.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -116.08 99.61 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 76.4 m-85 -82.1 114.51 20.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.576 HG22 ' CE1' ' A' ' 26' ' ' PHE . 1.4 t -136.61 104.41 9.19 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.724 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.0 Cg_endo -69.8 172.6 48.37 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 -1.811 . . . . 0.0 112.324 -0.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 65' ' ' PRO . 53.9 Cg_endo -69.76 -28.76 24.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.689 2.259 . . . . 0.0 112.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -87.75 -1.0 57.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.88 -13.77 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 1.6 m 64.01 25.06 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' C ' ' CD2' ' A' ' 63' ' ' PHE . 19.4 mtm180 -169.76 137.86 1.49 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HD3' ' CE2' ' A' ' 63' ' ' PHE . 53.1 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -84.14 -41.22 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.24 62.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.85 107.11 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.554 ' CD1' ' CZ ' ' A' ' 108' ' ' TYR . 85.1 mt -107.55 128.3 26.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 141.43 45.32 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.523 ' CD2' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.49 -47.9 75.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 p -44.37 -32.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -62.13 -43.83 97.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.6 mm -57.78 135.22 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.464 HD12 ' CD ' ' A' ' 101' ' ' LYS . 2.3 pt -131.66 -36.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -146.14 124.04 12.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.535 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.1 p -111.58 101.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -67.6 127.94 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.6 p -114.77 44.99 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.1 t -158.67 151.9 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.03 157.14 61.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.712 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -162.67 0.09 OUTLIER 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.329 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.456 ' N ' HD21 ' A' ' 89' ' ' LEU . 4.4 mm? -76.89 43.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -125.41 -51.01 1.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.433 ' C ' ' H ' ' A' ' 93' ' ' GLU . 2.8 tpp -61.23 136.87 94.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.51 0.672 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 9.46 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 91' ' ' MET . 22.7 tt0 66.46 54.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -86.51 -20.88 27.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.4 t70 58.97 35.77 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.496 ' HA ' ' CB ' ' A' ' 118' ' ' LYS . 15.0 p-10 -132.26 34.91 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.6 p -148.51 161.27 41.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.3 p90 -162.47 145.56 11.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 61.9 t -100.81 126.49 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 98' ' ' PHE . 25.1 mt -95.11 105.1 17.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.464 ' CD ' HD12 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -92.82 98.92 11.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.6 m -76.72 174.19 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 79' ' ' ALA . 1.6 pp20? -69.41 -39.61 77.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -58.85 -26.74 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 102.3 51.05 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.22 133.41 45.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.699 0.285 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.46 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 42.8 mt-10 -101.64 128.49 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.554 ' CZ ' ' CD1' ' A' ' 75' ' ' ILE . 49.9 m-85 -120.2 99.28 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.3 mt -80.21 105.7 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 8.6 mp -101.3 139.57 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.551 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 41.1 tt0 -118.16 105.03 11.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.6 p -75.39 -176.8 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mp -57.73 -62.05 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -141.14 174.58 10.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 84.7 p -52.85 -28.19 21.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 10.6 mt -66.44 -65.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -54.09 -27.79 35.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 96' ' ' ASN . 3.2 tmtm? -63.76 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.6 OUTLIER -50.55 -34.52 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -64.42 -45.19 88.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.466 ' CH2' HD23 ' A' ' 47' ' ' LEU . 35.1 m95 -61.03 -56.57 19.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.0 t -43.25 -37.24 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.45 49.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -52.52 -36.15 54.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 mt -85.62 -60.5 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.535 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 13.1 mm-40 -51.02 -29.5 12.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -76.68 -22.73 71.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 97.4 m -89.43 -52.46 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 130' ' ' ASP . 9.7 p -38.62 -33.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.523 ' O ' ' C ' ' A' ' 131' ' ' SER . 1.1 t70 -176.19 153.63 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 130' ' ' ASP . 11.0 t -28.08 99.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.92 -77.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -174.86 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.695 2.264 . . . . 0.0 112.346 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t -43.76 110.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.6 t -50.01 163.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 t -168.71 135.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -156.35 177.3 11.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.12 -126.3 6.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 62.0 42.8 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.829 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -86.83 160.85 18.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.87 97.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -82.6 96.43 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.1 111.46 15.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.05 40.29 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.52 -58.46 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -83.51 108.12 16.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.458 HG21 ' N ' ' A' ' 14' ' ' GLU . 12.3 p -112.95 141.7 27.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.458 ' N ' HG21 ' A' ' 13' ' ' VAL . 38.8 tt0 -80.83 88.38 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD23 ' CG1' ' A' ' 13' ' ' VAL . 1.4 pt? -116.26 171.4 7.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p -78.0 139.56 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.74 -49.7 76.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.29 106.51 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.98 -47.11 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . 0.5 OUTLIER -156.82 141.89 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' OE2' ' NH2' ' A' ' 46' ' ' ARG . 42.2 tt0 -153.0 130.8 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -156.52 -175.11 27.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.4 96.72 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.88 173.6 11.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -92.98 154.98 17.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CE1' ' CG2' ' A' ' 64' ' ' VAL . 0.5 OUTLIER -142.11 155.24 45.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 ptp -152.56 156.16 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.6 t -120.08 126.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 101.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -156.47 145.54 20.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -78.53 85.96 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -115.85 122.14 44.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.61 111.92 11.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.1 t -113.79 -55.74 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.29 -159.77 22.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.437 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 175.32 8.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.77 106.73 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.54 134.94 4.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.5 p -63.71 -49.48 72.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.754 0.312 . . . . 0.0 111.15 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.16 136.37 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' TRP . 11.5 mm100 -43.35 -43.5 5.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 76.1 m95 -34.01 140.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -117.13 141.42 48.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -66.07 131.34 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.8 p -155.36 167.34 30.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 37.2 ttt180 -124.24 116.55 22.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.562 HD23 ' CE3' ' A' ' 121' ' ' TRP . 13.0 tp -86.71 114.85 23.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 tp -117.88 120.7 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 124' ' ' ASP . 2.1 tt -111.27 97.94 7.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -125.77 170.53 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -65.82 136.68 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.75 162.54 21.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 m -121.87 161.79 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 74.95 48.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.76 88.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.437 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -174.38 146.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -62.57 -75.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.455 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 6.3 m-85 -136.71 177.29 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -156.69 130.33 8.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 77' ' ' LEU . 2.2 mm? -95.05 151.14 19.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -140.08 122.46 16.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 4.2 m-85 -106.99 101.09 10.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -82.93 101.93 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.556 ' CG2' ' CE1' ' A' ' 26' ' ' PHE . 4.8 t -122.05 107.8 35.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 111.082 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.77 170.08 60.25 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.385 -0.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.428 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.77 1.5 4.38 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -98.51 -24.65 15.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.74 145.93 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -66.9 -42.88 84.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -109.29 152.04 42.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 140.8 43.56 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.278 . . . . 0.0 112.328 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -82.53 -39.05 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.04 62.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.0 p -70.97 109.5 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.469 ' CD1' ' CZ ' ' A' ' 108' ' ' TYR . 86.6 mt -117.53 130.29 24.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 149.85 67.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 129' ' ' VAL . 0.2 OUTLIER -60.42 -37.0 79.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -54.24 -35.04 62.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.84 90.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.453 HD11 ' CG1' ' A' ' 102' ' ' VAL . 26.1 mm -58.04 129.25 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.96 -31.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 17.9 tt0 -153.61 120.43 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 p -105.74 97.67 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -89.07 128.05 35.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 p -85.18 26.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.496 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 14.5 t -98.85 157.06 16.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.9 mmt -115.51 152.92 47.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.536 0.684 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.38 28.42 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 90' ' ' GLU . 1.9 tm? -130.42 160.83 32.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.524 ' N ' ' CD1' ' A' ' 89' ' ' LEU . 9.5 mm-40 -75.73 56.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.456 ' C ' ' H ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -41.32 163.66 0.1 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.429 ' C ' ' HG2' ' A' ' 93' ' ' GLU . 54.1 Cg_endo -69.79 11.93 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' H ' ' C ' ' A' ' 91' ' ' MET . 3.5 mm-40 74.99 24.99 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -47.97 -31.38 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 57.46 39.45 28.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -132.47 30.13 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 p -141.7 161.07 38.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.7 p90 -155.53 153.2 29.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 86' ' ' THR . 21.2 t -107.06 143.72 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.409 HD21 ' CD1' ' A' ' 98' ' ' PHE . 21.1 mt -114.99 103.86 11.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.427 ' NZ ' ' HA2' ' A' ' 105' ' ' GLY . 4.0 tmtm? -91.96 104.93 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.453 ' CG1' HD11 ' A' ' 80' ' ' ILE . 2.7 m -81.95 -178.81 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 5.5 pt-20 -84.68 -33.42 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.466 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 2.1 m120 -68.07 -23.47 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.427 ' HA2' ' NZ ' ' A' ' 101' ' ' LYS . . . 102.11 78.86 1.35 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -163.4 121.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -94.37 125.33 38.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.469 ' CZ ' ' CD1' ' A' ' 75' ' ' ILE . 41.0 m-85 -113.86 109.34 18.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.1 mt -92.83 109.47 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.8 mp -105.4 146.15 29.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 53.5 tt0 -116.75 102.03 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.3 p -73.15 -177.55 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.55 -69.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.68 169.22 14.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.6 p -52.63 -21.16 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.449 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 18.3 mt -74.63 -44.14 51.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -68.33 -36.42 79.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -57.67 -65.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -45.95 -46.99 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.524 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 1.6 m -50.82 -45.14 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.562 ' CE3' HD23 ' A' ' 47' ' ' LEU . 45.8 m95 -64.86 -57.77 7.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.7 t -42.07 -41.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.62 -42.15 68.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 13.7 m-20 -61.08 -31.82 71.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.439 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 15.7 mt -90.79 -37.93 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -72.38 -28.36 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.03 -26.53 73.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.457 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 129' ' ' VAL . 2.5 p -92.69 -56.62 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.493 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.6 p -33.58 -44.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 131' ' ' SER . 1.2 p30 -175.52 131.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.4 t -32.51 -50.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 106.96 -138.91 14.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -31.7 19.87 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 37.7 p -174.98 163.51 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 83.6 p -76.94 142.1 40.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -120.3 111.91 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -164.56 146.01 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.5 79.86 0.59 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -124.01 84.12 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -171.26 174.8 4.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.52 154.85 7.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 66.12 42.14 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.9 122.64 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.76 107.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.12 144.71 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -113.52 135.98 53.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -139.4 131.54 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.181 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -76.61 105.97 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -133.75 151.15 51.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.71 138.98 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -44.64 -60.68 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -49.5 110.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -81.7 -45.78 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG2' ' CD2' ' A' ' 121' ' ' TRP . 3.4 tpm_? -161.32 141.08 10.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -151.75 139.31 19.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' OE2' ' A' ' 21' ' ' GLU . . . -167.01 -175.88 37.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.3 97.09 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.03 171.31 12.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -96.45 142.15 28.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -128.76 162.81 26.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.9 ptp -156.05 166.14 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 82.4 t -124.71 133.7 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.25 107.3 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.9 116.09 13.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 32' ' ' ALA . 58.6 m-20 49.04 42.99 21.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' ASP . . . -34.05 119.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -170.82 169.63 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' GLY . 4.5 m 60.38 44.26 12.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 34.49 -152.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -19.77 35.5 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.321 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 38' ' ' GLY . . . 65.98 157.24 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.449 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -35.34 -82.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -73.11 165.78 24.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -90.41 106.97 18.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 42' ' ' TRP . 11.8 mm-40 -36.8 -39.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 93.2 m95 -32.66 140.41 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -127.13 128.53 46.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -56.15 122.91 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 15.0 p -150.81 172.33 15.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 34.5 ttm180 -124.42 129.43 50.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.1 tp -99.31 118.89 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 tp -124.18 121.04 34.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 tt -111.99 97.83 6.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -118.67 154.95 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.532 ' HG2' ' CE1' ' A' ' 58' ' ' PHE . 10.1 mtp85 -66.5 139.61 57.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.76 166.3 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 54' ' ' ALA . 35.6 m -75.31 160.86 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -33.2 111.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.56 -38.91 1.12 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -137.86 167.71 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.473 ' CB ' ' SG ' ' A' ' 128' ' ' CYS . 25.1 mtp85 -78.46 -74.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 51' ' ' ARG . 30.4 m-85 -125.82 178.84 5.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -151.87 126.58 9.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -90.38 133.09 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -125.04 129.48 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.5 m-85 -111.92 101.26 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -85.34 112.46 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 26' ' ' PHE . 1.8 t -130.25 105.39 16.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.66 170.38 58.34 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.359 -0.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.436 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.7 Cg_endo -69.77 -0.86 7.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.4 -28.05 16.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.17 150.56 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.1 m -75.99 -39.23 56.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -104.59 139.9 20.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 142.83 48.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -79.16 -46.11 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.2 t -122.07 67.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.1 p -74.42 109.88 8.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.463 HG21 ' CG1' ' A' ' 102' ' ' VAL . 72.5 mt -118.94 131.57 24.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.669 0.747 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.05 68.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -54.86 -42.4 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -52.73 -37.61 59.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.48 -48.54 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -57.94 133.87 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pt -129.11 -33.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -144.18 138.39 28.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.474 HG11 ' CG ' ' A' ' 126' ' ' GLN . 6.8 p -130.27 108.81 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -81.73 105.63 13.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 35.1 p -74.74 -38.45 62.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.426 ' C ' ' HE2' ' A' ' 87' ' ' MET . 66.7 p -84.32 142.01 30.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.426 ' HE2' ' C ' ' A' ' 86' ' ' THR . 31.2 mmt -100.6 153.41 37.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -165.71 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.03 51.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.96 -47.37 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.19 137.42 21.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.833 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.492 ' HG2' ' H ' ' A' ' 93' ' ' GLU . 54.3 Cg_endo -69.76 -70.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.492 ' H ' ' HG2' ' A' ' 92' ' ' PRO . 13.3 tt0 -134.99 49.1 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -96.18 81.65 3.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.25 30.51 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.469 ' HB3' ' N ' ' A' ' 115' ' ' SER . 0.6 OUTLIER -128.07 40.31 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.6 p -141.74 162.45 35.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 9.3 p90 -161.26 138.76 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 21.6 t -94.56 138.36 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.3 mt -114.51 104.04 11.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -96.05 102.79 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 75' ' ' ILE . 3.9 m -74.22 167.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 2.8 pt-20 -61.68 -29.74 70.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.471 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 0.8 OUTLIER -67.68 -30.14 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.44 47.96 0.95 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.97 123.06 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 14.7 mt-10 -93.96 128.1 40.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -119.2 104.94 10.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 55.4 mt -86.74 107.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.2 mp -102.03 139.1 38.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.512 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 36.0 tt0 -112.6 109.32 18.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.6 p -87.79 176.38 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 88.1 mt -48.33 -63.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -156.02 168.93 25.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.469 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 23.1 m -38.23 -36.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.07 -62.23 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -65.58 -41.8 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.519 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 8.7 tmtt? -52.57 -61.77 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.519 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.0 t60 -48.81 -37.9 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 m -61.79 -59.66 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.424 ' HA ' ' OD1' ' A' ' 124' ' ' ASP . 48.2 m95 -45.53 -59.26 2.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.7 t -45.75 -31.17 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.96 -59.08 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.424 ' OD1' ' HA ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -52.7 -48.85 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.7 mt -60.55 -67.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.474 ' CG ' HG11 ' A' ' 83' ' ' VAL . 11.2 mt-30 -55.01 -27.78 46.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.04 -28.85 64.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.473 ' SG ' ' CB ' ' A' ' 57' ' ' ARG . 49.2 t -93.56 -62.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 128' ' ' CYS . 4.1 p -30.66 -40.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 128' ' ' CYS . 25.6 t0 -130.73 -72.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -169.28 144.95 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 147.95 83.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 147.55 63.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.303 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.7 t -75.02 157.66 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 79.7 p -68.8 135.18 50.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.8 mp -62.05 115.56 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -71.03 -46.46 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.435 HH22 ' NE2' ' A' ' 117' ' ' GLN . 17.9 ttt-85 -164.87 146.35 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.54 ' OE1' HD13 ' A' ' 48' ' ' LEU . 72.8 tt0 -146.38 135.11 22.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.71 165.63 36.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.45 108.24 19.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.695 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -136.16 172.19 13.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.57 148.28 23.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.47 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -138.56 152.31 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.479 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 4.4 ptp -153.67 150.23 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -109.21 130.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.1 104.56 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.6 m95 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -116.57 142.85 46.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.581 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -74.59 127.95 34.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB2' HG22 ' A' ' 64' ' ' VAL . 7.5 p -157.55 163.92 37.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -116.45 122.06 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.644 HD23 ' CD2' ' A' ' 121' ' ' TRP . 13.2 tp -90.36 118.89 30.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.54 HD13 ' OE1' ' A' ' 21' ' ' GLU . 18.7 tp -122.95 112.82 18.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.717 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.5 tt -100.56 107.19 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HD2' HD21 ' A' ' 48' ' ' LEU . 10.0 ptm180 -137.28 148.31 46.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 6.9 ptp180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.536 ' CD1' ' HA ' ' A' ' 51' ' ' ARG . 12.5 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -158.26 127.72 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 77' ' ' LEU . 2.6 mm? -88.95 135.38 33.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -122.46 131.08 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.724 ' O ' HG23 ' A' ' 64' ' ' VAL . 5.1 m-85 -115.27 80.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.75 105.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -128.21 108.58 19.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 111.154 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.21 64.53 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.331 -0.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.58 7.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.387 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -104.23 -4.74 22.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 150.83 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -30.56 66.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -126.5 154.65 75.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.74 43.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.736 2.291 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -83.4 -48.38 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 73' ' ' VAL . 43.8 t -116.72 59.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.2 p -70.55 104.67 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.516 HG23 ' HD2' ' A' ' 76' ' ' PRO . 60.7 mt -111.85 134.97 21.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.9 Cg_endo -69.76 149.28 66.66 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.725 2.284 . . . . 0.0 112.37 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.05 -16.09 63.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -75.61 -29.94 59.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -61.48 -41.19 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.11 125.21 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 102' ' ' VAL . 0.5 OUTLIER -119.25 -19.3 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -168.15 132.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.534 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.4 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.892 0.377 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.9 p -152.96 149.52 28.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.0 p90 -155.83 151.8 27.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 17.7 t -102.61 145.51 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.416 HD21 ' CE1' ' A' ' 98' ' ' PHE . 23.3 mt -120.96 106.67 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -93.42 115.7 28.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.51 ' O ' HD11 ' A' ' 81' ' ' ILE . 4.4 m -93.65 -177.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.9 pt-20 -78.92 -10.26 59.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.21 30.53 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 45.5 59.11 4.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.441 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -139.44 128.1 23.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.733 0.301 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 41.5 mt-10 -105.1 132.62 51.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -118.53 101.79 8.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.479 ' HB ' ' CG ' ' A' ' 27' ' ' MET . 78.2 mt -79.17 114.76 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.586 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.7 mp -110.73 157.3 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -136.54 114.77 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.695 HG22 HD13 ' A' ' 24' ' ' LEU . 82.8 p -93.52 179.65 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.1 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.22 -71.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 14.7 p-10 -137.03 175.82 9.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 p -51.44 -18.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -72.77 -48.78 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.435 ' NE2' HH22 ' A' ' 20' ' ' ARG . 4.1 mm100 -70.26 -49.5 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -46.27 -69.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -40.46 -58.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 27.4 t -40.97 -60.4 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.644 ' CD2' HD23 ' A' ' 47' ' ' LEU . 39.2 m95 -44.58 -57.92 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -45.38 -28.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -80.25 -42.02 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.717 ' HB3' HD13 ' A' ' 49' ' ' LEU . 19.8 m-20 -61.55 -36.77 81.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.462 HG23 HD21 ' A' ' 77' ' ' LEU . 25.9 mt -78.35 -56.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.57 ' HA ' HG12 ' A' ' 129' ' ' VAL . 11.6 mm100 -57.6 -36.43 71.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.51 -22.99 68.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.4 m -93.74 -53.91 3.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 126' ' ' GLN . 10.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.38 109.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.503 ' HB2' HD22 ' A' ' 49' ' ' LEU . 23.7 mm-40 -78.8 -44.87 22.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -159.05 141.84 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 1.4 tm-20 -147.2 121.56 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.07 -175.35 20.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.62 92.99 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 110' ' ' LEU . 0.1 OUTLIER -124.23 173.31 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -95.68 139.01 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -125.91 164.17 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.406 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 4.7 ptp -157.72 160.02 37.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.2 t -121.48 123.78 70.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 104.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 98.5 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.704 0.288 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -116.47 125.37 51.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.571 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.2 mtpm? -58.44 133.54 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.66 ' HB2' HG22 ' A' ' 64' ' ' VAL . 18.1 p -158.57 172.85 17.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -124.34 115.07 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.527 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 11.6 tp -86.58 123.32 31.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.9 tp -128.17 119.64 25.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.6 tt -103.17 99.03 8.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -115.04 148.15 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.53 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 12.4 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.882 0.373 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -153.88 127.33 8.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.777 HD23 HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -94.58 140.23 30.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -128.47 124.54 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.797 ' O ' HG23 ' A' ' 64' ' ' VAL . 6.5 m-85 -107.26 79.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -60.92 104.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 62' ' ' PHE . 2.1 t -127.36 115.6 21.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 111.166 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.53 57.76 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.354 -0.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 3.26 2.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -109.74 0.59 18.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.76 148.23 31.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.4 m -75.03 -32.8 61.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -111.2 147.11 35.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 142.75 48.96 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 40.6 tttp -86.8 -47.71 8.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.06 66.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.0 p -75.36 100.83 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.564 HG23 ' HD2' ' A' ' 76' ' ' PRO . 78.2 mt -110.95 136.24 20.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.576 0.703 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.564 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.7 Cg_endo -69.82 150.64 68.09 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.777 HD23 HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.76 -17.82 64.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.2 p -72.74 -35.73 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -56.47 -42.78 78.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.9 mm -58.04 123.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.57 -22.93 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -162.38 142.11 9.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.979 0.418 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 p -145.14 148.86 34.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.712 ' CD1' HD21 ' A' ' 100' ' ' LEU . 11.1 p90 -151.12 152.62 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 83' ' ' VAL . 33.8 t -109.16 134.93 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.712 HD21 ' CD1' ' A' ' 98' ' ' PHE . 8.8 mt -110.92 109.67 19.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -98.08 110.94 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 102' ' ' VAL . 4.7 m -82.32 175.01 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.0 pt-20 -69.5 -30.04 67.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 10.9 m-20 -70.49 -15.59 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.21 53.88 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.1 126.28 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 17.5 mt-10 -95.64 129.49 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -116.78 97.2 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.46 ' C ' HD12 ' A' ' 110' ' ' LEU . 20.3 mt -79.86 115.86 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.706 HD21 ' HE2' ' A' ' 62' ' ' PHE . 7.8 mp -110.91 152.39 26.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.504 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 31.6 tt0 -121.29 107.66 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 24' ' ' LEU . 25.8 p -87.62 175.66 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.91 -67.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -143.18 167.59 21.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 t -41.79 -29.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.2 mp -61.65 -51.82 66.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -67.27 -47.55 70.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -46.87 -64.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -47.4 -52.01 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 124' ' ' ASP . 1.7 m -45.67 -43.64 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.527 ' CZ2' ' HB3' ' A' ' 47' ' ' LEU . 48.3 m95 -68.63 -60.18 2.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -38.71 -46.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.06 -50.4 64.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.58 ' HB3' HD13 ' A' ' 49' ' ' LEU . 28.7 m-20 -52.08 -37.06 52.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.8 mt -83.81 -63.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -46.17 -36.91 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.59 -37.83 68.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.53 ' SG ' ' CD2' ' A' ' 58' ' ' PHE . 90.4 m -76.15 -32.78 59.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' CYS . 40.3 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.773 0.32 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.5 mp -52.34 116.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -86.78 -48.24 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' CD ' ' HB3' ' A' ' 120' ' ' SER . 26.6 ttm-85 -161.41 140.71 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -148.27 126.8 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.89 -176.75 20.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.79 101.09 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.37 173.64 11.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -95.76 141.41 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.71 155.65 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.8 ptp -151.04 162.43 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.2 t -123.98 126.16 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.71 104.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.518 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.1 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.761 0.315 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -129.55 130.4 45.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.538 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.0 ptpt -60.92 129.24 40.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.531 ' CB ' HG22 ' A' ' 64' ' ' VAL . 24.2 p -158.7 169.22 24.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 37.2 ttt180 -120.05 119.1 32.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 110' ' ' LEU . 12.8 tp -89.5 116.72 27.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 tp -119.57 117.99 29.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.664 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.5 tt -101.68 98.11 8.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -114.26 158.69 21.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.511 ' CD2' ' CD2' ' A' ' 49' ' ' LEU . 5.8 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -157.95 120.52 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.636 HD23 ' CD2' ' A' ' 77' ' ' LEU . 3.2 mm? -85.15 154.25 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -138.98 121.4 16.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.551 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.5 m-85 -103.39 86.08 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.0 109.08 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 62' ' ' PHE . 2.3 t -128.0 111.57 20.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.3 Cg_endo -69.73 170.18 59.62 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.317 -0.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.8 3.6 2.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.334 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -114.88 5.75 15.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.5 166.33 23.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -84.86 -34.76 22.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -120.53 151.69 54.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 149.41 67.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.282 . . . . 0.0 112.349 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -95.49 -45.36 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.9 t -124.95 67.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 m -74.08 111.28 9.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.621 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 82.7 mt -111.93 132.7 21.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 147.84 63.66 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -70.09 -23.04 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -71.31 -31.49 67.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.473 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -64.97 -37.4 87.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.412 HD13 HG12 ' A' ' 102' ' ' VAL . 47.1 mm -60.14 123.91 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 pt -118.19 -36.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -143.87 134.14 24.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.1 p30 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.918 0.389 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 111' ' ' GLU . 10.5 p -138.09 154.63 49.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.514 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.9 p90 -153.73 146.98 24.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.627 HG22 HG12 ' A' ' 109' ' ' ILE . 59.2 t -103.13 140.69 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.7 mt -109.96 105.85 15.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.6 99.83 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.412 HG12 HD13 ' A' ' 80' ' ' ILE . 8.0 m -77.36 176.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -70.42 -39.26 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -60.26 -23.33 64.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 98.57 51.75 1.39 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.8 129.43 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -100.49 124.12 45.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.621 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 53.3 m-85 -114.99 97.28 6.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.627 HG12 HG22 ' A' ' 99' ' ' VAL . 42.9 mt -77.47 116.24 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.087 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 47' ' ' LEU . 10.5 mp -111.45 140.62 45.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.518 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 39.9 tt0 -110.92 103.17 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.6 p -78.06 172.17 13.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.36 -63.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.85 167.72 20.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.9 p -45.18 -54.32 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 mt -43.07 -43.46 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -67.52 -47.49 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 118' ' ' LYS . 1.2 ttpm? -51.3 -69.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -43.15 -48.08 6.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.437 ' HB3' ' CD ' ' A' ' 20' ' ' ARG . 1.7 m -50.36 -49.85 52.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -60.09 -54.51 45.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.8 t -48.48 -37.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.3 -49.08 29.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.664 ' HB3' HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -57.07 -33.91 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 44.1 mt -82.29 -61.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.446 ' O ' HG12 ' A' ' 129' ' ' VAL . 17.1 mt-30 -54.88 -31.41 59.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.46 -24.38 76.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' VAL . 64.4 m -91.81 -51.74 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 126' ' ' GLN . 2.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.787 0.327 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.762 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.0 mp -57.78 102.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.053 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.502 ' HB2' HD22 ' A' ' 49' ' ' LEU . 6.3 mm100 -64.27 -47.89 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -161.77 147.48 13.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.18 123.76 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.35 -178.63 28.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.27 115.1 23.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.827 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -147.08 172.99 12.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -95.06 149.25 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.483 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -135.26 154.27 51.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.7 ptp -150.96 155.76 39.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -114.48 128.37 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.22 101.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 p30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 67.6 m95 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.692 0.282 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -138.36 122.36 17.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.53 ' O ' HG13 ' A' ' 64' ' ' VAL . 30.0 mtmm -56.6 131.97 50.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.531 ' CB ' HG22 ' A' ' 64' ' ' VAL . 4.1 p -158.37 174.98 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 30.1 ttm180 -126.3 119.95 28.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD23 ' CE3' ' A' ' 121' ' ' TRP . 11.5 tp -86.64 117.62 25.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.547 HD11 ' HE ' ' A' ' 50' ' ' ARG . 9.4 tp -115.3 120.27 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 19' ' ' GLN . 2.3 tt -114.06 99.99 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.547 ' HE ' HD11 ' A' ' 48' ' ' LEU . 13.1 ptp180 -136.72 157.89 45.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 14.7 mmm-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.484 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 8.7 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.886 0.375 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -158.25 125.93 5.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.68 HD23 HD23 ' A' ' 77' ' ' LEU . 1.1 mm? -94.76 133.6 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -122.86 127.63 49.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.5 m-85 -105.98 86.22 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -69.02 109.09 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.531 HG22 ' CB ' ' A' ' 45' ' ' CYS . 3.1 t -126.89 104.97 22.91 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.659 0.742 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.81 170.21 59.83 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.328 -0.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.8 1.51 4.4 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.64 2.227 . . . . 0.0 112.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -118.0 8.39 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.25 179.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.8 p -89.0 -26.55 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -143.46 155.44 60.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.22 39.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HE3' HG23 ' A' ' 73' ' ' VAL . 20.3 ttpp -80.9 -46.96 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.491 HG23 ' HE3' ' A' ' 72' ' ' LYS . 40.3 t -119.43 63.06 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.6 p -72.75 98.96 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' A' ' 76' ' ' PRO . 69.0 mt -109.56 134.96 20.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.729 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 75' ' ' ILE . 54.2 Cg_endo -69.72 150.23 68.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.68 HD23 HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.48 -15.31 62.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -80.26 -30.65 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.13 95.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.6 mm -59.65 113.46 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -99.05 -35.01 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -153.63 141.86 20.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.2 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.78 ' OD1' HG23 ' A' ' 97' ' ' THR . 2.3 p-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.78 HG23 ' OD1' ' A' ' 96' ' ' ASN . 69.4 p -140.78 179.8 6.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.8 p90 -170.06 144.05 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.542 ' O ' HG23 ' A' ' 83' ' ' VAL . 16.9 t -100.1 134.97 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 83' ' ' VAL . 26.6 mt -111.48 102.97 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.952 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.28 107.59 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.628 ' CG2' ' HB3' ' A' ' 106' ' ' ALA . 2.8 m -87.08 178.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -67.77 -25.13 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' GLY . 4.4 m120 -89.13 37.54 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 37.27 62.17 0.92 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.515 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.628 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -135.11 126.02 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.457 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 73.6 mt-10 -102.0 132.8 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -119.51 102.65 8.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.432 HG22 ' CH2' ' A' ' 42' ' ' TRP . 62.3 mt -84.72 106.02 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.7 mp -105.77 140.03 39.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.747 ' HA ' HG22 ' A' ' 97' ' ' THR . 19.7 tt0 -110.53 111.97 23.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.827 HG22 HD13 ' A' ' 24' ' ' LEU . 62.5 p -95.03 174.35 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.493 HG13 ' NE2' ' A' ' 117' ' ' GLN . 26.5 mm -42.46 -75.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -152.25 176.56 11.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.2 p -39.82 -32.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.45 -61.15 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.493 ' NE2' HG13 ' A' ' 113' ' ' ILE . 25.6 mt-30 -70.92 -39.52 72.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -53.92 -58.38 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.3 t60 -58.35 -30.09 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 p -68.87 -43.98 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.572 ' CE3' HD23 ' A' ' 47' ' ' LEU . 33.5 m95 -62.59 -58.68 6.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.4 t -45.41 -44.07 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.38 78.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.423 ' HB3' HD13 ' A' ' 49' ' ' LEU . 13.6 m-20 -59.22 -40.77 86.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 68.9 mt -74.14 -63.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -52.75 -36.05 57.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.5 -15.53 70.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 17.0 m -95.41 -54.62 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.403 ' HA ' HD12 ' A' ' 77' ' ' LEU . 4.0 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.37 113.75 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.652 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 1.7 mt-30 -81.41 -55.13 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -146.02 141.99 28.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.513 ' HG3' HD13 ' A' ' 48' ' ' LEU . 2.3 tm-20 -149.74 118.91 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.65 177.77 27.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.445 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.83 94.33 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -122.94 172.21 8.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -95.42 146.65 24.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.741 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -134.42 152.45 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 ptp -154.05 154.44 33.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 108' ' ' TYR . 89.0 t -116.08 127.8 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.65 102.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 78.1 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -126.76 123.4 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.653 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -55.12 134.84 49.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.726 ' CB ' HG22 ' A' ' 64' ' ' VAL . 10.2 p -158.83 171.39 20.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 56.9 ttp85 -123.5 113.49 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.602 HD11 HD12 ' A' ' 60' ' ' LEU . 12.6 tp -83.89 117.74 23.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD13 ' HG3' ' A' ' 21' ' ' GLU . 24.7 tp -125.57 118.69 26.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.819 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.2 tt -108.2 111.92 24.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -132.0 160.2 36.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.887 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CZ ' ' CD ' ' A' ' 19' ' ' GLN . 11.2 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -156.87 127.96 6.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.642 HD22 ' HG ' ' A' ' 49' ' ' LEU . 2.0 mm? -89.77 133.29 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -123.05 127.17 48.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.6 m-85 -107.54 90.08 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -76.78 108.62 9.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.741 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.4 t -129.6 113.71 17.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 54.0 Cg_endo -69.68 170.39 58.36 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.379 -0.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.75 3.01 3.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.47 11.66 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.68 165.26 25.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -92.17 9.47 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.478 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -167.26 151.18 6.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 155.48 65.92 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -106.23 -41.92 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 73' ' ' VAL . 86.0 t -126.88 63.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -74.76 114.46 13.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.557 HG21 HG11 ' A' ' 102' ' ' VAL . 61.2 mt -121.95 134.34 24.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.706 0.765 . . . . 0.0 111.068 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.1 Cg_endo -69.8 146.61 60.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.575 HD23 HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -54.16 -41.11 68.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 t -54.1 -37.51 64.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.72 -42.72 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.688 HD13 HG12 ' A' ' 102' ' ' VAL . 33.4 mm -65.6 129.36 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.6 -30.63 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -151.83 142.66 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.615 HG11 ' HG2' ' A' ' 126' ' ' GLN . 2.7 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.4 p -142.56 147.93 36.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 4.5 p90 -151.32 147.82 27.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 83' ' ' VAL . 41.6 t -101.65 135.97 35.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.148 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.56 104.95 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -95.48 102.45 14.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.688 HG12 HD13 ' A' ' 80' ' ' ILE . 4.5 m -79.58 178.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -24.21 63.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -86.03 30.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.06 59.88 3.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.444 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -137.58 122.2 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.457 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 19.3 mt-10 -96.52 135.08 38.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.463 ' CD2' HG22 ' A' ' 28' ' ' VAL . 70.6 m-85 -122.37 95.39 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.413 HG22 ' HH2' ' A' ' 42' ' ' TRP . 40.0 mt -76.11 111.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 8.6 mp -109.66 142.28 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 31.6 tt0 -114.18 108.47 17.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.481 HG22 HD13 ' A' ' 24' ' ' LEU . 44.8 p -83.78 -177.03 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.583 ' H ' HD12 ' A' ' 113' ' ' ILE . 5.3 mp -67.32 -58.76 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.695 ' OD2' HD13 ' A' ' 116' ' ' LEU . 43.2 p-10 -149.87 177.93 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 89.5 p -57.24 -23.49 48.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.695 HD13 ' OD2' ' A' ' 114' ' ' ASP . 5.2 mp -69.48 -39.53 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.435 ' HG3' HD13 ' A' ' 113' ' ' ILE . 38.7 mm-40 -83.4 -37.86 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.404 ' HA ' HG21 ' A' ' 112' ' ' THR . 14.8 tttp -58.56 -65.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -46.4 -42.55 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -61.01 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.56 ' CE3' HD23 ' A' ' 47' ' ' LEU . 30.7 m95 -61.63 -62.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.7 t -39.63 -33.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.97 -49.4 45.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.819 ' HB3' HD13 ' A' ' 49' ' ' LEU . 43.3 m-20 -52.86 -35.01 56.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.93 -67.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.615 ' HG2' HG11 ' A' ' 83' ' ' VAL . 10.7 mm100 -48.95 -32.3 8.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.07 -41.31 92.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 129' ' ' VAL . 41.1 t -82.62 -54.69 4.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 128' ' ' CYS . 51.5 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.7 mt -77.86 131.94 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.619 ' HB2' HD22 ' A' ' 49' ' ' LEU . 8.0 mm100 -95.54 -47.26 6.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -162.53 139.31 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.631 ' HG3' HD13 ' A' ' 48' ' ' LEU . 1.3 tm-20 -147.44 131.22 16.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.57 32.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.75 97.72 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -133.74 173.58 11.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 42' ' ' TRP . 28.0 mtm180 -93.57 154.57 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.722 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -143.25 146.82 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.0 ptp -144.26 154.96 43.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.431 HG22 ' CD2' ' A' ' 108' ' ' TYR . 97.1 t -113.83 131.12 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.42 102.87 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 43.9 m95 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.739 0.304 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -135.23 129.16 33.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -61.39 130.06 44.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.574 ' CB ' HG22 ' A' ' 64' ' ' VAL . 8.6 p -158.84 173.49 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 46.9 ttt180 -123.31 112.35 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 110' ' ' LEU . 21.3 tp -83.96 113.32 20.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.631 HD13 ' HG3' ' A' ' 21' ' ' GLU . 11.6 tp -119.4 126.43 51.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.0 tt -106.5 97.55 7.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' HG3' HD11 ' A' ' 48' ' ' LEU . 37.8 mtm180 -111.16 153.6 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 7.3 ttm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.507 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 10.3 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.887 0.375 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -157.4 131.08 8.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.508 HD23 ' CD2' ' A' ' 77' ' ' LEU . 2.2 mm? -92.46 150.96 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -134.55 131.09 37.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.4 m-85 -116.17 88.35 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -72.56 113.01 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.722 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -133.68 107.76 11.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 170.79 56.85 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.295 -0.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.453 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.4 Cg_endo -69.73 -0.86 7.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.84 -17.85 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.45 139.9 58.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -69.16 -33.47 73.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -108.52 143.54 27.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 143.4 50.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -83.17 -48.31 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.94 66.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.0 p -73.65 101.2 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.654 HG21 HG11 ' A' ' 102' ' ' VAL . 71.6 mt -105.55 133.19 20.3 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.649 0.738 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.465 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.1 Cg_endo -69.84 147.62 62.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.302 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -64.09 -21.1 66.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 t -73.39 -32.65 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.431 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.43 -39.27 86.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.492 HD13 HG12 ' A' ' 102' ' ' VAL . 50.3 mm -58.0 130.47 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.33 -30.1 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -157.8 140.11 14.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.484 ' HA ' ' CB ' ' A' ' 118' ' ' LYS . 19.2 p30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.931 0.396 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.3 p -135.33 157.83 45.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CD1' HD21 ' A' ' 100' ' ' LEU . 23.2 p90 -160.83 145.79 14.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.537 HG22 HG12 ' A' ' 109' ' ' ILE . 97.1 t -104.9 136.03 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD21 ' CD1' ' A' ' 98' ' ' PHE . 12.4 mt -110.35 105.9 15.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -95.36 101.28 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.654 HG11 HG21 ' A' ' 75' ' ' ILE . 4.0 m -76.75 177.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.02 -22.53 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -88.25 34.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.92 61.39 1.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.532 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -139.64 122.44 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -97.55 136.42 37.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.452 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 68.3 m-85 -124.14 97.02 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.537 HG12 HG22 ' A' ' 99' ' ' VAL . 46.2 mt -77.27 116.5 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.569 HD23 HD22 ' A' ' 47' ' ' LEU . 8.0 mp -114.5 146.01 41.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 30.5 tt0 -124.02 113.05 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.565 HG22 HD13 ' A' ' 24' ' ' LEU . 37.2 p -86.06 -177.3 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.204 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.74 -65.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -134.05 174.04 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 51.9 p -60.25 -25.71 65.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.01 -39.02 79.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -80.93 -26.97 36.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.484 ' CB ' ' HA ' ' A' ' 96' ' ' ASN . 2.8 tmtt? -70.55 -62.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.483 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -41.88 -42.4 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 4.5 t -56.96 -50.18 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.449 ' CE2' HD23 ' A' ' 47' ' ' LEU . 47.3 m95 -53.37 -63.5 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.5 t -41.55 -40.42 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.68 -42.25 64.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.623 ' HB3' HD13 ' A' ' 49' ' ' LEU . 4.5 m-20 -60.32 -40.26 89.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.68 -65.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -48.2 -38.51 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.9 -40.94 95.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 129' ' ' VAL . 82.5 m -76.79 -44.85 31.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 128' ' ' CYS . 42.2 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mt -64.98 138.13 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.606 ' CG ' HD22 ' A' ' 49' ' ' LEU . 10.9 mm100 -94.1 -38.11 11.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -171.83 135.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' CD ' HD13 ' A' ' 48' ' ' LEU . 63.6 tt0 -137.16 133.17 34.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.98 166.23 32.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.71 100.2 10.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -130.7 173.49 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -99.66 151.49 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.444 ' CE1' HG21 ' A' ' 64' ' ' VAL . 1.5 p90 -140.99 158.93 43.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.9 ptp -152.24 162.13 41.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 108' ' ' TYR . 87.5 t -117.78 133.2 65.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.41 104.08 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.4 ' CH2' HG22 ' A' ' 109' ' ' ILE . 97.1 m95 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.756 0.312 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -121.55 128.9 52.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -57.3 130.14 44.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' HG22 ' A' ' 64' ' ' VAL . 8.2 p -154.31 165.57 35.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 54.0 ttt180 -118.01 112.55 20.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.536 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 10.1 tp -84.25 122.5 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.502 HD13 ' CD ' ' A' ' 21' ' ' GLU . 30.9 tp -126.11 111.73 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.606 HD22 ' CG ' ' A' ' 19' ' ' GLN . 4.6 tt -95.36 97.8 10.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -100.16 159.2 15.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 1.7 ttp180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 11.8 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -150.71 132.57 15.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.444 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -107.5 134.64 50.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -120.59 149.25 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.4 m-85 -130.55 91.01 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -73.19 122.08 21.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.486 ' HB ' ' CD ' ' A' ' 72' ' ' LYS . 1.6 t -142.56 108.36 5.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.2 Cg_endo -69.79 170.28 59.4 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.327 0.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.79 1.11 4.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -10.16 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.76 148.26 44.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.039 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.0 t -75.9 -29.07 58.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -113.1 146.2 34.7 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.596 0.713 . . . . 0.0 110.818 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.42 35.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 56.8 tttt -82.37 -44.62 15.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 73' ' ' VAL . 95.8 t -122.09 66.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.9 p -67.69 118.25 10.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.5 mt -119.7 110.68 36.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.87 31.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 129' ' ' VAL . 0.4 OUTLIER -50.69 -28.66 9.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 t -62.57 -29.95 70.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.0 -35.1 57.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.44 138.23 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.62 -35.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.71 130.95 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 111' ' ' GLU . 21.0 p -144.86 161.18 39.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 11.5 p90 -158.75 137.39 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.706 HG22 HG12 ' A' ' 109' ' ' ILE . 60.5 t -97.3 144.95 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.2 mt -110.01 103.3 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.22 101.4 14.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 106' ' ' ALA . 1.7 m -82.87 160.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.25 -28.07 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -65.56 -29.58 70.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 110.24 10.84 21.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.827 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -99.02 135.59 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 111.136 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 3.2 mp0 -106.52 140.95 38.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.468 ' CE2' HG11 ' A' ' 73' ' ' VAL . 26.3 m-85 -126.28 107.65 10.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.706 HG12 HG22 ' A' ' 99' ' ' VAL . 31.0 mt -86.56 109.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -105.57 142.63 34.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.432 ' HA ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -112.1 145.28 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 113' ' ' ILE . 36.0 p -125.89 154.9 42.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.729 HD12 ' NE2' ' A' ' 117' ' ' GLN . 47.5 mt -33.4 -63.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.602 ' CG ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -146.25 -177.58 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.6 p -57.78 -30.92 66.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -61.73 -42.02 98.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.729 ' NE2' HD12 ' A' ' 113' ' ' ILE . 20.7 mt-30 -73.88 -42.3 60.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -55.4 -69.39 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -42.42 -42.7 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.6 m -55.57 -54.96 37.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.536 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 40.8 m95 -53.71 -61.3 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.9 t -39.96 -34.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -67.11 -57.94 5.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.567 ' HB2' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -56.62 -50.71 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.05 -64.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.498 ' HA ' HG12 ' A' ' 129' ' ' VAL . 14.0 mt-30 -53.37 -54.45 36.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -46.21 -19.26 0.38 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 86.4 m -95.11 -56.12 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 126' ' ' GLN . 4.1 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.3 mp -54.3 98.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.4 ' CG ' HD22 ' A' ' 49' ' ' LEU . 26.5 mm100 -44.74 -63.24 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -152.64 166.06 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' OE2' HD13 ' A' ' 48' ' ' LEU . 29.5 tt0 -153.93 141.47 19.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.29 164.22 35.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.535 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.89 105.17 14.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -137.22 173.46 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 25' ' ' ARG . 2.7 mpt_? -91.09 144.91 25.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.768 ' CE1' HG21 ' A' ' 64' ' ' VAL . 1.1 p90 -128.91 158.87 37.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 ptp -160.36 163.18 33.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.5 t -121.18 143.4 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.47 111.31 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CH2' HG22 ' A' ' 109' ' ' ILE . 95.5 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.756 0.312 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -123.01 134.25 54.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -59.35 127.51 32.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.522 ' HB2' HG22 ' A' ' 64' ' ' VAL . 2.6 p -157.69 167.83 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 46.3 ttt180 -117.28 120.62 38.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 60' ' ' LEU . 15.0 tp -90.21 114.53 26.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD13 ' OE2' ' A' ' 21' ' ' GLU . 15.3 tp -116.34 130.99 57.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.648 HD13 ' HB2' ' A' ' 124' ' ' ASP . 2.1 tt -117.13 104.5 11.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.521 ' C ' ' CD2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -132.38 146.04 51.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.514 ' N ' ' CE2' ' A' ' 58' ' ' PHE . 6.8 ptp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CD2' ' C ' ' A' ' 50' ' ' ARG . 13.5 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.832 0.349 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 20.5 ttp180 -158.46 123.26 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.669 HD23 HD23 ' A' ' 77' ' ' LEU . 1.9 mm? -87.22 126.12 34.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -113.64 121.53 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 4.9 m-85 -103.24 93.07 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -76.83 114.24 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.768 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.5 t -133.9 107.72 11.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 170.11 59.85 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.339 -0.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.83 2.52 3.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -99.51 -20.3 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.62 142.64 57.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -68.97 -35.18 76.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -107.08 143.91 28.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.565 0.697 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.458 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 53.9 Cg_endo -69.79 141.16 44.38 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.445 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 46.0 tttt -78.36 -45.77 21.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.44 64.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.458 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 81.7 p -72.29 105.16 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.535 HG23 ' HD2' ' A' ' 76' ' ' PRO . 67.3 mt -113.63 135.34 21.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.535 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.6 Cg_endo -69.8 144.03 52.49 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.289 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.669 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -56.98 -39.8 75.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.8 p -51.84 -35.3 44.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.26 -44.65 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 15.1 mm -57.93 127.8 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.63 -35.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -149.4 128.67 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.649 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.8 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.877 HG22 ' HA ' ' A' ' 111' ' ' GLU . 15.0 p -141.81 177.87 7.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.9 p90 -171.24 142.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 39.9 t -99.08 136.31 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 83' ' ' VAL . 27.9 mt -109.54 103.52 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.53 102.66 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 106' ' ' ALA . 3.3 m -83.82 173.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.12 -20.22 64.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -90.67 36.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 38.63 63.03 1.06 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.579 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -142.79 121.07 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.442 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 74.5 mt-10 -99.8 131.8 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -118.23 103.34 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.573 HG22 ' CH2' ' A' ' 42' ' ' TRP . 21.7 mt -83.56 112.88 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.2 mp -111.15 137.52 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.877 ' HA ' HG22 ' A' ' 97' ' ' THR . 25.6 tt0 -107.45 110.24 22.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.626 HG22 HD13 ' A' ' 24' ' ' LEU . 51.9 p -84.75 -174.92 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.98 -64.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -141.35 -175.0 4.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.2 p -57.75 -34.47 69.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.452 ' H ' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -59.0 -61.92 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -57.57 -40.65 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -59.84 -69.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -42.92 -42.84 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.484 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 2.4 t -57.46 -55.87 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.419 ' HA ' ' OD1' ' A' ' 124' ' ' ASP . 44.5 m95 -49.67 -56.4 10.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.2 t -49.54 -25.77 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -77.09 -56.32 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.648 ' HB2' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -56.4 -53.49 56.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.7 mt -54.75 -63.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -51.96 -48.4 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.38 -34.24 54.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.441 ' SG ' ' CD1' ' A' ' 58' ' ' PHE . 24.5 m -74.42 -40.7 61.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.749 0.309 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.718 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.4 mp -51.48 128.21 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.505 ' CG ' HD22 ' A' ' 49' ' ' LEU . 23.0 mm100 -92.73 -57.88 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' ' 121' ' ' TRP . 5.0 tpm_? -152.37 144.36 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -146.68 120.8 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.6 170.81 33.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.85 101.05 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -129.21 173.63 10.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -98.76 141.2 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.653 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -130.44 162.89 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.463 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 10.2 ptp -154.82 164.59 38.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.6 t -122.54 125.06 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.15 102.86 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.543 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 99.2 m95 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.754 0.311 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -124.18 130.0 51.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -58.99 131.99 52.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.461 ' CB ' HG22 ' A' ' 64' ' ' VAL . 14.0 p -157.91 167.05 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 20.2 ttp180 -122.98 115.02 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.67 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 10.1 tp -84.12 123.85 30.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 tp -127.94 111.51 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.505 HD22 ' CG ' ' A' ' 19' ' ' GLN . 4.2 tt -103.58 103.62 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -120.39 171.04 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.441 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 14.9 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -139.28 129.61 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.37 138.05 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -124.54 139.33 53.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.2 m-85 -123.23 90.5 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -73.01 107.68 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -127.28 107.93 21.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.3 Cg_endo -69.84 170.8 57.07 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.301 0.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.461 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.81 13.73 0.28 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 65' ' ' PRO . 37.7 mmtt -111.18 -24.59 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.38 147.77 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -69.66 -40.17 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -109.46 151.83 42.38 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.647 0.737 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.54 30.72 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.298 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -77.75 -47.27 19.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.496 HG12 ' O ' ' A' ' 73' ' ' VAL . 46.8 t -121.3 62.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.8 p -67.44 107.36 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.54 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 59.8 mt -112.25 121.85 38.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.15 17.12 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -42.82 -39.21 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.9 m -51.78 -40.13 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.27 84.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.035 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.442 HD13 HG12 ' A' ' 102' ' ' VAL . 51.1 mm -59.53 133.57 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 pt -126.74 -34.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -146.44 138.3 24.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.515 HG12 ' OE1' ' A' ' 126' ' ' GLN . 2.7 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.483 ' HB3' ' N ' ' A' ' 115' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.93 0.395 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.0 p -136.32 143.64 44.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 9.7 p90 -141.02 138.65 33.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.577 HG22 HG12 ' A' ' 109' ' ' ILE . 57.7 t -95.42 134.58 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.3 mt -106.58 104.62 14.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.43 106.46 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 106' ' ' ALA . 2.0 m -83.58 172.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.202 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.72 -42.01 35.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -33.86 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 113.91 76.12 0.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.542 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.748 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -169.12 133.6 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -104.56 139.07 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.54 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 57.3 m-85 -124.29 105.37 9.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.577 HG12 HG22 ' A' ' 99' ' ' VAL . 71.8 mt -86.15 109.74 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -107.32 139.19 42.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.543 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 20.2 tt0 -113.93 121.33 43.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.505 HG22 HD13 ' A' ' 24' ' ' LEU . 39.2 p -95.69 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 89.4 mt -50.07 -60.82 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.453 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -147.35 164.66 32.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 40.3 t -46.77 -29.36 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 34.2 mt -64.0 -42.22 97.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -79.01 -24.82 43.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -70.14 -58.51 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -46.48 -39.16 10.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 3.6 t -60.65 -48.72 80.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.67 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 52.8 m95 -59.14 -56.32 23.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 41.1 t -45.19 -40.76 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.99 -51.74 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.3 -40.14 73.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.6 -59.47 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.515 ' OE1' HG12 ' A' ' 83' ' ' VAL . 7.8 mm100 -53.12 -36.13 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.89 -25.68 70.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 129' ' ' VAL . 71.0 m -83.9 -62.11 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 126' ' ' GLN . 12.3 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 50' ' ' ARG . 39.7 mm -67.34 115.7 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -81.93 -60.69 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -148.88 144.14 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -148.32 127.89 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.13 -173.42 22.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.71 98.48 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.801 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -130.93 173.84 10.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -98.09 139.96 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -124.39 160.38 28.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.4 ptp -156.98 155.9 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.42 HG22 ' CD2' ' A' ' 108' ' ' TYR . 87.8 t -115.12 134.47 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.07 106.04 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.581 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 99.6 m95 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.71 0.29 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -119.29 124.99 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -55.53 129.45 38.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.454 ' CB ' HG22 ' A' ' 64' ' ' VAL . 23.9 p -155.19 164.79 38.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 28.5 ttt180 -117.51 119.12 34.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.695 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 12.9 tp -91.55 116.44 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.3 tp -119.73 111.53 18.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.697 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.6 tt -98.69 111.94 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HB3' HD13 ' A' ' 18' ' ' ILE . 7.1 ptm180 -143.54 145.61 32.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 58' ' ' PHE . 7.2 ptm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 6.9 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.798 0.333 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 76' ' ' PRO . 19.5 ttp180 -158.42 127.85 5.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD23 ' CD2' ' A' ' 77' ' ' LEU . 1.7 mm? -93.93 140.55 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -126.45 122.66 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.652 ' CE2' HD21 ' A' ' 110' ' ' LEU . 9.9 m-85 -104.35 91.57 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -71.62 106.75 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 45' ' ' CYS . 2.5 t -126.5 109.3 23.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.76 170.42 58.56 Favored 'Cis proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.354 -0.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.468 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.3 Cg_endo -69.77 4.03 2.43 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.643 2.228 . . . . 0.0 112.359 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -119.01 10.32 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.82 -176.98 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 p -99.08 -28.33 13.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -132.0 149.73 74.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.642 0.734 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.21 37.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -81.25 -49.95 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -114.97 69.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.9 p -80.03 100.13 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.663 HG23 ' HD2' ' A' ' 76' ' ' PRO . 70.5 mt -110.54 138.73 21.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.9 Cg_endo -69.78 150.41 68.06 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -65.64 -29.83 70.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.7 t -64.76 -35.2 80.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -54.71 -41.49 70.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.418 HD13 HG12 ' A' ' 102' ' ' VAL . 45.2 mm -58.68 128.32 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.9 -30.23 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -152.11 143.28 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.557 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.0 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 96' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.905 0.383 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.4 p -152.76 155.04 36.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 7.1 p90 -159.82 144.98 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.584 HG22 HG12 ' A' ' 109' ' ' ILE . 73.2 t -100.16 128.32 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.405 HD21 ' CD1' ' A' ' 98' ' ' PHE . 19.1 mt -99.78 104.59 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -95.47 107.62 19.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 106' ' ' ALA . 5.5 m -87.18 176.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -70.24 -21.85 62.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -88.4 32.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.8 62.73 1.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -140.71 121.74 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.416 ' HB3' HG13 ' A' ' 99' ' ' VAL . 58.7 mt-10 -96.82 140.64 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.42 ' CD2' HG22 ' A' ' 28' ' ' VAL . 61.9 m-85 -130.82 96.04 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.584 HG12 HG22 ' A' ' 99' ' ' VAL . 52.9 mt -75.97 112.4 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.652 HD21 ' CE2' ' A' ' 62' ' ' PHE . 9.4 mp -109.14 137.92 46.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.581 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 29.3 tt0 -115.27 103.33 10.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.801 HG22 HD13 ' A' ' 24' ' ' LEU . 66.5 p -81.21 178.78 8.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.04 -64.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -151.4 -175.28 5.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -55.84 -28.1 54.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.88 -41.28 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -85.46 -43.0 13.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.546 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 3.3 tmtm? -55.32 -61.03 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.494 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 13.0 t60 -50.82 -34.47 27.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -67.26 -42.37 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.695 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 55.7 m95 -63.46 -59.14 5.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.546 HG21 ' HZ2' ' A' ' 118' ' ' LYS . 77.2 t -40.7 -43.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.13 -43.32 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.697 ' HB3' HD13 ' A' ' 49' ' ' LEU . 35.9 m-20 -61.21 -33.98 74.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.472 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 6.7 mt -87.99 -36.98 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.557 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 12.9 mm-40 -73.73 -26.03 60.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.09 -34.13 52.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' A' ' 125' ' ' ILE . 2.2 p -85.19 -50.71 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.417 ' HA ' HD12 ' A' ' 77' ' ' LEU . 13.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.731 0.301 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.4 mt -53.37 103.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 24.2 mm100 -60.73 -52.05 66.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 17.0 mtt85 -163.1 167.63 22.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -153.47 143.79 22.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.18 166.19 35.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.82 98.98 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.667 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -128.45 173.0 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' CD ' ' HB3' ' A' ' 42' ' ' TRP . 48.7 mtt180 -93.84 140.99 29.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -129.69 160.99 31.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.8 ptp -154.86 166.46 33.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.4 t -126.4 128.49 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.43 101.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.4 m95 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.701 0.286 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -122.53 126.67 48.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 133.81 56.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 10.2 p -158.37 175.08 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.1 ttt180 -124.91 115.8 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.481 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 11.3 tp -88.48 115.15 25.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.3 tp -111.05 124.23 51.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.7 tt -108.55 99.13 8.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -128.6 163.22 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 50.8 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.591 ' CZ ' ' SG ' ' A' ' 128' ' ' CYS . 35.2 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.856 0.36 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -157.69 125.12 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.869 HD23 HD23 ' A' ' 77' ' ' LEU . 1.7 mm? -93.61 132.59 37.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -115.25 125.9 53.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.693 ' HE2' HD21 ' A' ' 110' ' ' LEU . 5.3 m-85 -107.87 90.46 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -73.73 111.83 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.0 t -130.74 107.02 15.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.584 0.706 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' A' ' 67' ' ' LYS . 53.8 Cg_endo -69.76 170.76 56.9 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.347 -0.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.469 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.5 Cg_endo -69.76 10.07 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 65' ' ' PRO . 12.9 ttmt -108.48 -25.05 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.55 144.2 8.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -31.49 71.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -118.2 150.94 48.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 140.68 43.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.226 . . . . 0.0 112.344 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 47.3 tttt -84.57 -45.15 12.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 73' ' ' VAL . 61.7 t -124.88 67.01 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.2 t -77.66 113.53 15.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.703 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 74.3 mt -115.57 133.84 22.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.607 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.79 142.56 48.15 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.869 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -65.63 -24.84 67.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 p -71.17 -34.06 70.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.607 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.55 -35.54 76.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.479 HD13 HG12 ' A' ' 102' ' ' VAL . 49.7 mm -57.59 130.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 pt -120.67 -33.5 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -149.69 120.34 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 83' ' ' VAL . 2.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.403 ' O ' ' HD2' ' A' ' 118' ' ' LYS . 17.9 p -145.88 168.23 21.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 19.9 p90 -170.35 130.15 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.782 HG22 HG12 ' A' ' 109' ' ' ILE . 12.1 t -93.68 139.91 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -113.1 110.57 20.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.36 101.07 12.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.479 HG12 HD13 ' A' ' 80' ' ' ILE . 3.7 m -75.56 176.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -73.44 -38.05 65.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.44 -25.83 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 102.43 61.3 0.73 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.65 126.24 16.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -98.05 127.08 43.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.703 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 60.8 m-85 -115.86 100.13 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.782 HG12 HG22 ' A' ' 99' ' ' VAL . 63.1 mt -81.13 112.97 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.693 HD21 ' HE2' ' A' ' 62' ' ' PHE . 10.3 mp -111.83 145.28 39.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.594 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 32.8 tt0 -119.33 114.77 22.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.675 HG21 ' HA ' ' A' ' 118' ' ' LYS . 43.7 p -83.34 -176.28 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.33 -60.43 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -133.26 172.19 13.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.5 p -61.28 -26.13 67.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.18 -31.51 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -80.94 -35.0 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.675 ' HA ' HG21 ' A' ' 112' ' ' THR . 14.1 ttpt -62.11 -64.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -42.12 -43.44 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 4.8 t -54.6 -51.75 64.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -56.84 -53.77 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.4 t -50.17 -37.11 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.14 -47.9 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.645 ' HB3' HD13 ' A' ' 49' ' ' LEU . 2.9 m-20 -57.0 -36.85 70.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.693 HG23 HD21 ' A' ' 77' ' ' LEU . 45.7 mt -79.18 -58.82 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.474 ' HA ' HG12 ' A' ' 129' ' ' VAL . 20.0 mt-30 -55.16 -33.72 63.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.86 -25.8 75.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.591 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 49.5 m -89.42 -51.93 5.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 126' ' ' GLN . 12.7 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.768 0.318 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.9 mt -69.73 128.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -91.59 -54.59 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.535 ' HD2' ' CE2' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -155.56 150.71 26.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 12.0 tm-20 -153.21 142.8 21.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.05 162.7 35.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HB2' ' HE ' ' A' ' 46' ' ' ARG . . . -105.94 99.5 9.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.575 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -134.24 173.92 11.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.06 142.78 26.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -130.36 157.51 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.477 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 9.2 ptp -152.0 162.89 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.4 t -122.81 126.71 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.84 104.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.7 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.703 0.287 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -119.47 121.15 38.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' HG13 ' A' ' 64' ' ' VAL . 30.2 mtmt -55.55 131.04 45.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.593 ' CB ' HG22 ' A' ' 64' ' ' VAL . 16.7 p -157.15 170.18 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.455 ' HE ' ' HB2' ' A' ' 23' ' ' ALA . 27.6 ttm180 -122.61 116.79 24.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.704 HD11 HD13 ' A' ' 60' ' ' LEU . 36.5 tp -84.72 126.23 33.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.0 tp -129.96 121.74 27.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.433 ' HG ' HD21 ' A' ' 60' ' ' LEU . 2.8 tt -107.35 102.49 11.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -121.72 150.61 41.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.549 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 1.5 ptm85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 27.8 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -151.39 124.5 8.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.704 HD13 HD11 ' A' ' 47' ' ' LEU . 1.1 mt -84.24 159.07 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -143.5 110.44 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.6 m-85 -101.93 88.35 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -71.67 116.59 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.593 HG22 ' CB ' ' A' ' 45' ' ' CYS . 2.3 t -134.97 109.79 10.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 169.98 60.67 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.293 -0.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.8 4.6 2.12 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -99.43 -23.06 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.43 147.61 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -73.68 -34.64 64.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -108.54 148.84 38.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.413 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 54.0 Cg_endo -69.76 136.54 33.26 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.425 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 25.9 tttp -80.19 -39.39 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 73' ' ' VAL . 47.2 t -127.65 59.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 38.4 p -67.94 103.13 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.769 HG21 HG11 ' A' ' 102' ' ' VAL . 42.2 mt -108.11 132.83 20.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.6 Cg_endo -69.77 143.06 49.59 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.608 HD21 HG23 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -60.68 -35.17 75.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.5 p -56.28 -30.8 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -63.22 -41.21 99.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.9 mm -57.73 127.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.87 -31.4 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -152.84 143.23 22.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.508 HG11 ' CG ' ' A' ' 126' ' ' GLN . 2.4 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.48 ' HB3' ' C ' ' A' ' 114' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.92 0.39 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.2 p -147.66 140.82 25.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.9 p90 -144.49 142.89 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.77 HG22 HG12 ' A' ' 109' ' ' ILE . 83.9 t -100.93 137.64 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 mt -113.02 101.7 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -89.75 96.92 10.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.769 HG11 HG21 ' A' ' 75' ' ' ILE . 6.0 m -75.86 172.48 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.8 pt-20 -65.11 -25.0 67.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -85.46 32.09 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.43 61.8 2.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.496 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -140.71 121.16 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.541 ' HB3' HG13 ' A' ' 99' ' ' VAL . 29.4 mt-10 -95.99 136.44 36.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 40.7 m-85 -125.33 98.72 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.77 HG12 HG22 ' A' ' 99' ' ' VAL . 70.6 mt -78.83 114.84 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.8 mp -109.96 137.58 47.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.573 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 61.2 tt0 -110.85 104.54 13.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.575 HG22 HD13 ' A' ' 24' ' ' LEU . 70.7 p -82.64 -173.52 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.403 ' HB ' ' HG3' ' A' ' 117' ' ' GLN . 64.7 mt -62.74 -69.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.48 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 3.8 t70 -130.69 -177.58 4.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 95.8 p -57.95 -33.55 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -63.17 -57.24 11.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.403 ' HG3' ' HB ' ' A' ' 113' ' ' ILE . 8.3 mm100 -52.12 -46.29 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -58.49 -64.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -44.38 -41.77 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 t -61.29 -49.21 77.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 47' ' ' LEU . 26.6 m95 -52.0 -60.86 2.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 97.8 t -42.67 -39.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.75 -49.97 66.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.36 -43.25 83.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.608 HG23 HD21 ' A' ' 77' ' ' LEU . 75.4 mt -67.96 -68.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.651 ' O ' HG12 ' A' ' 129' ' ' VAL . 10.2 mm100 -49.49 -50.02 43.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -47.8 -20.51 1.22 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 58' ' ' PHE . 54.8 m -98.29 -41.42 7.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 126' ' ' GLN . 1.6 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.337 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.89 129.33 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.6 ' CG ' HD22 ' A' ' 49' ' ' LEU . 29.2 mm100 -79.17 -58.4 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -148.66 150.16 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -149.77 124.15 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.69 177.78 32.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.45 105.82 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.825 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -134.96 173.55 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 mtm-85 -95.34 138.19 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -127.73 160.79 30.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 ptp -158.27 157.96 33.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 108' ' ' TYR . 99.4 t -119.1 134.03 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.18 101.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.432 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.9 m95 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.721 0.296 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -126.72 125.4 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -57.66 131.33 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.472 ' CB ' HG22 ' A' ' 64' ' ' VAL . 21.9 p -155.17 169.53 23.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 12.2 ttp180 -119.47 115.71 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 11.0 tp -84.42 119.48 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 tp -121.73 121.58 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' A' ' 124' ' ' ASP . 4.1 tt -113.3 98.75 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -116.42 156.92 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 24.4 ptt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 26.3 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -136.52 130.81 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.428 HD23 HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -101.63 132.47 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -122.85 137.2 55.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.5 m-85 -120.22 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -71.44 116.1 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.5 t -134.54 106.41 10.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.7 Cg_endo -69.8 170.16 60.02 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.348 -0.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.74 2.71 3.27 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.0 -27.0 14.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.03 149.17 19.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.0 m -76.02 -34.02 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -107.82 140.26 21.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.06 39.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -81.61 -46.2 14.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 73' ' ' VAL . 45.4 t -118.31 62.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 t -70.4 112.01 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.598 HG21 HG11 ' A' ' 102' ' ' VAL . 55.1 mt -118.78 126.91 26.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.07 32.09 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -45.57 -38.71 6.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.1 p -54.5 -38.36 66.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.63 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.401 HD13 HG12 ' A' ' 102' ' ' VAL . 44.9 mm -58.65 134.66 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 pt -131.27 -30.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -153.05 137.66 16.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 99' ' ' VAL . 7.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.451 ' HA ' ' CD ' ' A' ' 118' ' ' LYS . 1.2 p-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.0 p -134.84 151.55 51.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 11.7 p90 -151.23 137.06 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 83' ' ' VAL . 37.4 t -93.69 140.98 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.7 mt -115.11 106.19 13.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.09 97.82 10.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.598 HG11 HG21 ' A' ' 75' ' ' ILE . 5.8 m -76.65 176.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 3.8 pt-20 -67.34 -27.28 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 56.4 t-20 -84.21 32.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.87 61.33 1.96 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.495 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -136.99 122.09 19.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.724 0.297 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 18.8 mt-10 -96.49 133.62 40.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.508 ' CD2' HG22 ' A' ' 28' ' ' VAL . 48.1 m-85 -123.49 98.47 5.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.567 HG12 HG22 ' A' ' 99' ' ' VAL . 46.3 mt -78.21 112.57 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mp -106.47 144.04 33.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.432 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 42.2 tt0 -120.5 105.4 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.825 HG22 HD13 ' A' ' 24' ' ' LEU . 81.6 p -88.13 -179.1 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.489 ' CG1' ' HG3' ' A' ' 117' ' ' GLN . 39.0 mm -49.66 -66.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 115' ' ' SER . 43.1 m-20 -157.9 174.79 14.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 114' ' ' ASP . 20.6 p -33.09 -38.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.821 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.621 ' H ' HD12 ' A' ' 116' ' ' LEU . 4.2 mp -56.39 -66.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.489 ' HG3' ' CG1' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -56.76 -46.05 81.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.451 ' CD ' ' HA ' ' A' ' 96' ' ' ASN . 5.4 tttm -53.4 -68.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -45.54 -41.76 10.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.7 t -56.5 -46.5 80.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.486 ' CZ2' ' HB3' ' A' ' 47' ' ' LEU . 53.7 m95 -63.29 -57.46 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 121' ' ' TRP . 96.7 t -36.4 -41.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.23 -49.77 32.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.601 ' HB3' HD13 ' A' ' 49' ' ' LEU . 6.6 m-20 -49.99 -40.48 44.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mt -81.12 -64.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.422 ' O ' HG12 ' A' ' 129' ' ' VAL . 10.1 mt-30 -48.48 -27.98 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.34 -29.43 56.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' VAL . 60.4 m -89.42 -48.82 7.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 128' ' ' CYS . 9.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.6 mp -62.23 107.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.739 ' HB2' HD22 ' A' ' 49' ' ' LEU . 12.0 mm-40 -75.39 -45.29 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . 5.4 tpm_? -163.04 138.15 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.781 ' OE2' HD13 ' A' ' 48' ' ' LEU . 18.8 tt0 -148.38 138.0 22.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.13 160.2 33.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.53 104.53 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' CYS . 0.1 OUTLIER -137.29 172.31 13.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -94.46 154.73 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -144.73 149.49 35.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.2 ptp -146.62 152.73 39.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.9 t -113.98 128.09 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.64 102.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.491 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 60.1 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.721 0.296 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -129.61 129.82 44.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 64' ' ' VAL . 1.9 mppt? -62.14 130.41 45.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.43 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 5.0 p -155.96 175.91 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 32.2 ttp180 -130.79 114.18 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.703 HD23 ' CE3' ' A' ' 121' ' ' TRP . 12.9 tp -84.23 117.32 23.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.781 HD13 ' OE2' ' A' ' 21' ' ' GLU . 19.6 tp -124.06 115.17 20.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.739 HD22 ' HB2' ' A' ' 19' ' ' GLN . 5.1 tt -100.61 97.7 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HG3' HD11 ' A' ' 48' ' ' LEU . 12.8 mtp180 -112.39 159.91 18.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.475 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 20.4 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -157.97 129.91 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.846 HD23 HD23 ' A' ' 77' ' ' LEU . 1.6 mm? -94.12 145.25 24.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -129.12 141.94 51.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.708 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.6 m-85 -123.43 78.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -61.48 113.65 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 62' ' ' PHE . 1.7 t -133.16 104.94 12.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.4 Cg_endo -69.8 169.97 60.92 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.325 0.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.2 Cg_endo -69.71 0.48 5.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.377 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.71 -23.79 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.18 145.3 37.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -71.74 -31.65 66.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 14.3 mtp-105 -112.96 142.34 27.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.83 67.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.427 ' CE ' HG23 ' A' ' 73' ' ' VAL . 25.7 ttpt -90.17 -36.85 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 73' ' ' VAL . 60.4 t -128.16 59.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.0 p -66.78 100.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.514 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 65.8 mt -103.51 130.29 23.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 150.0 68.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.382 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.846 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -70.01 -7.04 37.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 t -89.23 -24.34 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.59 76.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.735 HD13 HG12 ' A' ' 102' ' ' VAL . 48.3 mm -58.11 135.99 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.22 -32.46 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -156.68 132.24 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.8 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 112' ' ' THR . 22.6 t30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.37 161.7 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 18.4 p90 -164.92 143.29 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.481 HG13 ' HB3' ' A' ' 107' ' ' GLU . 59.9 t -101.55 132.04 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.614 HD23 HG23 ' A' ' 83' ' ' VAL . 16.4 mt -105.89 106.38 16.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -95.82 109.07 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.735 HG12 HD13 ' A' ' 80' ' ' ILE . 7.6 m -86.79 175.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.88 -19.06 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -91.42 30.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.35 58.37 3.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -136.08 122.14 20.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.481 ' HB3' HG13 ' A' ' 99' ' ' VAL . 39.0 mt-10 -95.91 141.97 28.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.514 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 47.1 m-85 -129.51 97.99 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.464 ' C ' HD12 ' A' ' 110' ' ' LEU . 48.9 mt -78.13 111.88 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mp -113.59 142.58 45.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.491 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 15.3 tt0 -120.21 136.46 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.502 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 36.5 p -109.98 175.06 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.21 -70.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -127.21 173.02 10.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.1 m -56.11 -28.67 58.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 116' ' ' LEU . 1.6 pp -62.96 -41.92 99.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -72.6 -42.1 64.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -58.29 -66.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 11.3 t60 -44.94 -33.5 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -65.21 -51.78 58.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.703 ' CE3' HD23 ' A' ' 47' ' ' LEU . 46.7 m95 -57.2 -58.07 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.4 t -44.32 -38.78 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.21 -44.99 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.417 ' CG ' ' HB2' ' A' ' 20' ' ' ARG . 9.8 m-20 -58.89 -38.46 78.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.0 mt -79.14 -54.64 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -57.57 -34.12 68.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -68.73 -24.76 75.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 85.3 m -95.19 -53.87 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.498 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 5.1 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.4 mp -52.65 114.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' HB2' HD22 ' A' ' 49' ' ' LEU . 18.6 mm100 -76.58 -45.86 28.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -164.44 157.73 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -154.12 138.91 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.97 178.22 37.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.87 105.07 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.88 173.39 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.49 146.66 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -132.96 149.09 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.447 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 8.0 ptp -145.29 164.91 29.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 108' ' ' TYR . 97.2 t -124.28 127.64 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.98 102.05 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.737 0.303 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -119.2 126.51 51.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.62 130.76 47.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.73 ' CB ' HG22 ' A' ' 64' ' ' VAL . 14.2 p -158.35 172.2 18.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.45 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 35.2 ttt85 -119.19 138.44 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.613 HD23 ' CE3' ' A' ' 121' ' ' TRP . 11.7 tp -107.38 112.64 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.5 tp -116.16 126.28 53.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 124' ' ' ASP . 4.0 tt -117.18 107.26 14.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -132.78 160.12 37.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 41.6 mtm180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 15.8 m-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.437 ' CD ' ' OE2' ' A' ' 61' ' ' GLU . 20.3 ttm180 -158.19 122.7 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.898 HD23 HD23 ' A' ' 77' ' ' LEU . 1.6 mm? -90.22 147.71 23.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' OE2' ' CD ' ' A' ' 59' ' ' ARG . 15.3 mp0 -137.46 133.37 34.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.72 ' CE2' HD21 ' A' ' 110' ' ' LEU . 2.1 m-85 -112.47 98.56 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.92 101.68 6.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.73 HG22 ' CB ' ' A' ' 45' ' ' CYS . 3.2 t -121.94 106.35 36.7 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.597 0.713 . . . . 0.0 111.158 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.75 170.38 58.7 Favored 'Cis proline' 0 C--O 1.231 0.132 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.326 -0.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.45 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.77 4.85 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -109.55 -15.25 14.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.64 149.64 13.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -68.14 -33.65 74.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.411 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -124.65 152.47 69.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.72 . . . . 0.0 110.858 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.47 45.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -85.16 -45.11 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 73' ' ' VAL . 44.1 t -118.18 63.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.3 t -75.11 113.87 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.67 HG21 HG11 ' A' ' 102' ' ' VAL . 76.1 mt -121.36 134.68 24.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.67 0.748 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.682 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 54.2 Cg_endo -69.69 150.72 69.01 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.402 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.898 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.37 -35.29 79.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -62.5 -32.32 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.682 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.45 -42.64 96.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.067 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.7 125.23 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.09 -34.54 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -141.78 128.77 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 99' ' ' VAL . 2.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.8 p30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 111' ' ' GLU . 61.6 p -130.7 168.5 17.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -161.57 135.28 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.627 HG22 HG12 ' A' ' 109' ' ' ILE . 88.6 t -89.47 152.26 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 106' ' ' ALA . 26.0 mt -127.71 96.64 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -89.98 100.33 13.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.67 HG11 HG21 ' A' ' 75' ' ' ILE . 3.4 m -76.98 159.51 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -48.29 -40.93 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -59.1 -28.18 66.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.68 50.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 100' ' ' LEU . . . -130.77 123.3 28.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.508 ' HB3' HG13 ' A' ' 99' ' ' VAL . 55.9 mt-10 -95.01 130.71 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.497 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 71.8 m-85 -119.79 98.87 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.627 HG12 HG22 ' A' ' 99' ' ' VAL . 73.3 mt -77.27 115.87 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.72 HD21 ' CE2' ' A' ' 62' ' ' PHE . 7.3 mp -111.77 140.21 46.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.627 ' HA ' HG22 ' A' ' 97' ' ' THR . 61.5 tt0 -111.31 112.58 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.405 HG21 ' HA ' ' A' ' 118' ' ' LYS . 42.8 p -85.53 172.29 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.7 mt -54.48 -56.97 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -146.47 170.25 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.8 p -52.04 -22.8 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.502 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 5.2 mp -72.56 -52.25 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -61.8 -32.87 73.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.405 ' HA ' HG21 ' A' ' 112' ' ' THR . 12.2 ttpt -59.73 -65.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -46.01 -41.73 12.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.445 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 1.6 m -56.29 -52.83 63.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.865 ' O ' HD12 ' A' ' 125' ' ' ILE . 38.6 m95 -58.96 -62.85 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.5 t -37.69 -38.52 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.53 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.82 ' HB3' HD13 ' A' ' 49' ' ' LEU . 40.0 m-20 -60.24 -38.46 83.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.865 HD12 ' O ' ' A' ' 121' ' ' TRP . 4.3 mp -80.46 -53.27 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -58.28 -37.38 74.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.4 -23.79 71.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 129' ' ' VAL . 78.7 m -94.93 -57.74 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' CYS . 5.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 18' ' ' ILE . 3.8 mp -60.9 103.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.601 ' HG2' ' CE1' ' A' ' 58' ' ' PHE . 13.8 mm100 -71.63 -40.11 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.76 147.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -152.55 145.41 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.96 168.46 39.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.13 102.11 11.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.599 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -137.11 173.33 11.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -95.12 149.75 20.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -137.89 159.7 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.8 ptp -156.02 162.45 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.94 127.04 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.14 103.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 72.6 m95 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.748 0.309 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -123.39 129.31 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -59.16 130.52 47.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' LEU . 14.8 p -153.89 174.73 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.2 ttt180 -126.59 113.7 17.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.502 HD11 HD12 ' A' ' 60' ' ' LEU . 14.4 tp -83.5 115.31 22.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.759 HD11 ' HD3' ' A' ' 50' ' ' ARG . 15.7 tp -123.64 125.71 45.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.777 HD13 ' OD2' ' A' ' 124' ' ' ASP . 4.3 tt -109.49 103.94 12.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.759 ' HD3' HD11 ' A' ' 48' ' ' LEU . 5.6 mmm180 -116.9 151.21 37.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.585 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 26.8 ptt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.601 ' CE1' ' HG2' ' A' ' 19' ' ' GLN . 12.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -158.02 131.25 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD12 HD11 ' A' ' 47' ' ' LEU . 2.3 mm? -95.7 143.78 26.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.93 132.4 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.9 m-85 -114.69 91.15 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -75.48 107.76 7.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.2 t -128.7 105.72 18.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.78 170.13 60.06 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.328 -0.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.2 Cg_endo -69.71 -0.92 7.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.742 2.295 . . . . 0.0 112.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.43 -24.66 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.16 139.63 56.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -68.71 -32.15 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -107.66 143.12 26.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.455 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 53.9 Cg_endo -69.75 136.87 34.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.463 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 33.9 tttm -76.9 -40.82 46.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 73' ' ' VAL . 88.0 t -127.4 61.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 36.5 p -65.61 109.91 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.44 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 82.6 mt -117.22 127.53 26.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.49 67.2 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.591 HD11 ' SG ' ' A' ' 128' ' ' CYS . 0.2 OUTLIER -56.68 -42.8 79.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 m -51.28 -31.25 20.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -60.18 -48.56 81.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.0 mm -58.63 134.08 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 pt -131.63 -31.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -144.72 120.01 10.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 83' ' ' VAL . 2.4 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.461 ' HB3' ' N ' ' A' ' 115' ' ' SER . 4.2 p-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.964 0.412 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 p -138.59 156.83 47.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 7.6 p90 -162.8 141.01 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.567 HG22 HG12 ' A' ' 109' ' ' ILE . 93.9 t -97.27 146.38 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.6 mt -120.55 99.77 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -90.3 99.56 12.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 102' ' ' VAL . 5.6 m -74.04 -179.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 79' ' ' ALA . 3.0 pt-20 -77.25 -18.07 57.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -82.58 -11.17 58.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.3 44.72 5.22 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.13 126.18 43.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.095 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.415 ' HB3' HG13 ' A' ' 99' ' ' VAL . 34.8 mt-10 -98.65 124.86 43.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.44 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 57.5 m-85 -113.73 104.79 12.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.567 HG12 HG22 ' A' ' 99' ' ' VAL . 55.5 mt -85.29 110.18 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.0 mp -105.75 144.15 32.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 55.0 tt0 -118.56 103.08 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.599 HG22 HD13 ' A' ' 24' ' ' LEU . 36.0 p -78.69 163.19 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 97.5 mt -42.54 -64.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.435 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 5.8 m-20 -139.13 167.57 21.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.461 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 18.9 p -48.82 -37.53 19.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.86 -40.26 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -74.58 -41.34 60.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.46 ' HZ1' ' CG ' ' A' ' 119' ' ' HIS . 5.9 ttpp -53.07 -69.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.46 ' CG ' ' HZ1' ' A' ' 118' ' ' LYS . 24.8 m-70 -42.35 -42.71 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -55.42 -44.35 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -66.12 -54.77 21.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 72.8 t -41.83 -42.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.19 -40.82 74.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.777 ' OD2' HD13 ' A' ' 49' ' ' LEU . 1.7 t70 -60.55 -30.95 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.3 mt -94.99 -34.17 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.422 ' HA ' HG12 ' A' ' 129' ' ' VAL . 12.5 mt-30 -73.36 -27.27 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.74 -28.14 63.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.591 ' SG ' HD11 ' A' ' 77' ' ' LEU . 21.3 p -93.16 -50.04 5.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.371 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.476 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 10.5 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.0 mt -74.06 104.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -73.95 -50.28 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.54 140.78 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -150.9 129.08 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.67 177.3 38.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.2 114.65 27.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.947 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -144.05 173.61 11.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -98.25 140.84 31.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -129.56 159.58 35.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.405 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 5.5 ptp -154.26 159.66 41.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.48 HG22 ' CD2' ' A' ' 108' ' ' TYR . 93.9 t -122.85 126.47 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.86 101.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.8 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.722 0.296 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -124.31 126.63 46.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.506 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -57.43 130.44 46.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.583 ' HB2' HG22 ' A' ' 64' ' ' VAL . 1.8 p -158.54 171.86 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.8 ttt180 -124.99 124.36 41.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.529 HD23 ' CE3' ' A' ' 121' ' ' TRP . 13.3 tp -92.91 114.3 26.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD21 ' NE ' ' A' ' 50' ' ' ARG . 36.4 tp -113.85 119.34 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 124' ' ' ASP . 1.8 tt -108.06 99.8 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' NE ' HD21 ' A' ' 48' ' ' LEU . 59.5 mtm180 -126.85 162.81 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 8.7 mmt85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 9.0 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.451 ' CG ' ' HA ' ' A' ' 76' ' ' PRO . 1.9 ttt85 -158.39 135.57 9.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.516 HD23 ' CD2' ' A' ' 77' ' ' LEU . 1.3 mm? -100.69 141.97 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -126.98 122.85 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.565 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.4 m-85 -104.23 83.43 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -67.21 113.2 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.583 HG22 ' HB2' ' A' ' 45' ' ' CYS . 1.4 t -133.0 110.2 12.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.75 170.97 55.82 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.397 -0.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.71 6.16 1.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -108.61 -4.04 17.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.01 149.22 37.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.9 p -76.1 -31.96 58.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -112.82 141.13 24.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 138.44 37.89 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -80.48 -43.16 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 73' ' ' VAL . 46.1 t -122.22 63.6 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.3 p -68.75 101.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.433 HG13 HG12 ' A' ' 73' ' ' VAL . 75.2 mt -106.95 129.12 24.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.702 . . . . 0.0 111.158 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.579 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.77 151.41 68.98 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.516 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -65.56 -23.7 66.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.6 t -73.95 -32.61 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.579 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.04 -42.21 93.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.56 HD13 HG12 ' A' ' 102' ' ' VAL . 38.0 mm -59.75 108.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.37 -28.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -156.3 152.39 27.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 83' ' ' VAL . 9.7 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 112' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 p -143.12 152.42 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.5 p90 -167.59 146.58 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 17.3 t -100.96 144.22 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.473 HD23 HG23 ' A' ' 83' ' ' VAL . 23.6 mt -118.62 109.42 16.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -96.02 110.76 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.56 HG12 HD13 ' A' ' 80' ' ' ILE . 7.5 m -89.44 177.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -26.25 67.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -86.05 29.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.49 60.97 2.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -136.1 121.81 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.731 0.3 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 16.6 mt-10 -93.62 137.71 32.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.48 ' CD2' HG22 ' A' ' 28' ' ' VAL . 37.8 m-85 -127.33 95.68 4.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.439 HG12 HG22 ' A' ' 99' ' ' VAL . 17.9 mt -76.64 115.12 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.588 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.9 mp -110.85 143.6 41.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -126.27 103.66 7.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.947 HG22 HD13 ' A' ' 24' ' ' LEU . 10.2 p -81.13 175.08 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 98.0 mt -50.24 -74.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -130.26 167.19 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.8 t -49.71 -39.22 36.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.7 mt -53.12 -38.89 63.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -83.2 -38.77 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.4 OUTLIER -65.84 -62.75 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.511 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.0 t60 -42.9 -35.37 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.2 t -69.45 -43.69 72.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.529 ' CE3' HD23 ' A' ' 47' ' ' LEU . 36.9 m95 -54.78 -62.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.648 HG13 HE21 ' A' ' 126' ' ' GLN . 92.9 t -42.29 -37.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.3 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.548 ' HB3' HD13 ' A' ' 49' ' ' LEU . 2.8 m-20 -60.24 -45.37 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mt -70.08 -63.83 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.648 HE21 HG13 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -52.9 -36.35 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.51 -13.72 82.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 33.5 m -99.58 -22.07 15.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 126' ' ' GLN . 12.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.75 0.309 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.8 mt -60.39 111.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -64.32 -51.9 61.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -172.32 152.61 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' CD ' HD13 ' A' ' 48' ' ' LEU . 64.4 tt0 -146.36 150.55 35.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.27 176.5 42.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.36 108.99 18.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.75 172.84 12.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -94.71 131.87 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -122.93 154.59 38.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.1 ptp -152.73 163.52 39.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' A' ' 108' ' ' TYR . 98.2 t -126.0 122.65 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.09 102.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 98.2 m95 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.707 0.289 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -134.31 133.24 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -61.75 127.6 32.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.422 ' SG ' ' CD1' ' A' ' 26' ' ' PHE . 31.0 p -158.78 176.45 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -126.17 131.78 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.662 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 12.9 tp -101.74 114.52 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD13 ' CD ' ' A' ' 21' ' ' GLU . 32.2 tp -117.35 119.39 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 124' ' ' ASP . 4.4 tt -104.75 116.47 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.421 ' C ' ' CD2' ' A' ' 58' ' ' PHE . 23.9 ptt85 -140.1 147.29 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 10.3 ptt180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.499 ' CD2' ' CD2' ' A' ' 49' ' ' LEU . 7.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -157.96 126.12 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 77' ' ' LEU . 1.8 mm? -93.94 122.99 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' OE1' HD23 ' A' ' 48' ' ' LEU . 16.5 mt-10 -104.46 134.33 47.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.497 ' CE2' HD21 ' A' ' 110' ' ' LEU . 19.6 m-85 -116.08 99.61 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 76.4 m-85 -82.1 114.51 20.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.532 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 1.4 t -136.61 104.41 9.19 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.724 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.0 Cg_endo -69.8 172.6 48.37 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 -1.811 . . . . 0.0 112.324 -0.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 65' ' ' PRO . 53.9 Cg_endo -69.76 -28.76 24.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.689 2.259 . . . . 0.0 112.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -87.75 -1.0 57.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.88 -13.77 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 1.6 m 64.01 25.06 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.475 ' C ' ' CD2' ' A' ' 63' ' ' PHE . 19.4 mtm180 -169.76 137.86 1.49 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 63' ' ' PHE . 53.1 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -84.14 -41.22 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 73' ' ' VAL . 58.3 t -124.24 62.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.85 107.11 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.774 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 85.1 mt -107.55 128.3 26.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 141.43 45.32 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.49 -47.9 75.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 p -44.37 -32.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -62.13 -43.83 97.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.484 HD13 HG12 ' A' ' 102' ' ' VAL . 50.6 mm -57.78 135.22 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.3 pt -131.66 -36.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -146.14 124.04 12.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.535 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.1 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 118' ' ' LYS . 15.0 p-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.936 0.398 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.6 p -148.51 161.27 41.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.3 p90 -162.47 145.56 11.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.707 HG22 HG12 ' A' ' 109' ' ' ILE . 61.9 t -100.81 126.49 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.11 105.1 17.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 98.92 11.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.484 HG12 HD13 ' A' ' 80' ' ' ILE . 12.6 m -76.72 174.19 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 79' ' ' ALA . 1.6 pp20? -69.41 -39.61 77.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -58.85 -26.74 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 102.3 51.05 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.22 133.41 45.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.699 0.285 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.454 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 42.8 mt-10 -101.64 128.49 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.774 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 49.9 m-85 -120.2 99.28 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.707 HG12 HG22 ' A' ' 99' ' ' VAL . 41.3 mt -80.21 105.7 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 8.6 mp -101.3 139.57 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.565 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 41.1 tt0 -118.16 105.03 11.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.6 p -75.39 -176.8 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.7 mp -57.73 -62.05 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -141.14 174.58 10.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 84.7 p -52.85 -28.19 21.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 10.6 mt -66.44 -65.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -54.09 -27.79 35.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 96' ' ' ASN . 3.2 tmtm? -63.76 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.472 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -50.55 -34.52 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -64.42 -45.19 88.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.662 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 35.1 m95 -61.03 -56.57 19.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.484 HG21 ' NZ ' ' A' ' 118' ' ' LYS . 98.0 t -43.25 -37.24 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.45 49.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.585 ' HB3' HD13 ' A' ' 49' ' ' LEU . 39.6 m-20 -52.52 -36.15 54.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 mt -85.62 -60.5 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.535 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 13.1 mm-40 -51.02 -29.5 12.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -76.68 -22.73 71.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 97.4 m -89.43 -52.46 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.734 0.302 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.29 106.51 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.98 -47.11 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . 0.5 OUTLIER -156.82 141.89 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' OE2' ' NH2' ' A' ' 46' ' ' ARG . 42.2 tt0 -153.0 130.8 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -156.52 -175.11 27.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.4 96.72 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -131.88 173.6 11.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -92.98 154.98 17.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.923 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -142.11 155.24 45.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 ptp -152.56 156.16 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.421 HG22 ' CD2' ' A' ' 108' ' ' TYR . 99.6 t -120.08 126.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 101.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.6 t0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 76.1 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.719 0.295 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -117.13 141.42 48.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.6 ptpt -66.07 131.34 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.582 ' CB ' HG22 ' A' ' 64' ' ' VAL . 2.8 p -155.36 167.34 30.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 37.2 ttt180 -124.24 116.55 22.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 121' ' ' TRP . 13.0 tp -86.71 114.85 23.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 tp -117.88 120.7 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.1 tt -111.27 97.94 7.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -125.77 170.53 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 -179.897 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' HB2' ' HG ' ' A' ' 77' ' ' LEU . 6.3 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -156.69 130.33 8.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 77' ' ' LEU . 2.2 mm? -95.05 151.14 19.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -140.08 122.46 16.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.617 ' HE2' HD21 ' A' ' 110' ' ' LEU . 4.2 m-85 -106.99 101.09 10.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -82.93 101.93 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.923 HG21 ' CE1' ' A' ' 26' ' ' PHE . 4.8 t -122.05 107.8 35.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 111.082 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.08 60.25 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.385 -0.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.77 1.5 4.38 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -98.51 -24.65 15.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.74 145.93 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -66.9 -42.88 84.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -109.29 152.04 42.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 140.8 43.56 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.278 . . . . 0.0 112.328 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -82.53 -39.05 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 73' ' ' VAL . 59.7 t -125.04 62.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.0 p -70.97 109.5 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.6 HD11 ' OH ' ' A' ' 108' ' ' TYR . 86.6 mt -117.53 130.29 24.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 149.85 67.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -60.42 -37.0 79.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -54.24 -35.04 62.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.84 90.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.482 HD13 HG12 ' A' ' 102' ' ' VAL . 26.1 mm -58.04 129.25 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.96 -31.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 17.9 tt0 -153.61 120.43 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' VAL . 2.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 111' ' ' GLU . 4.5 p -141.7 161.07 38.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.7 p90 -155.53 153.2 29.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 83' ' ' VAL . 21.2 t -107.06 143.72 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.1 mt -114.99 103.86 11.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.431 ' NZ ' ' HA2' ' A' ' 105' ' ' GLY . 4.0 tmtm? -91.96 104.93 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.482 HG12 HD13 ' A' ' 80' ' ' ILE . 2.7 m -81.95 -178.81 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 5.5 pt-20 -84.68 -33.42 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.479 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 2.1 m120 -68.07 -23.47 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.431 ' HA2' ' NZ ' ' A' ' 101' ' ' LYS . . . 102.11 78.86 1.35 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.438 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -163.4 121.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -94.37 125.33 38.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.6 ' OH ' HD11 ' A' ' 75' ' ' ILE . 41.0 m-85 -113.86 109.34 18.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.1 mt -92.83 109.47 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.617 HD21 ' HE2' ' A' ' 62' ' ' PHE . 7.8 mp -105.4 146.15 29.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.662 ' HA ' HG22 ' A' ' 97' ' ' THR . 53.5 tt0 -116.75 102.03 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.534 HG21 ' HA ' ' A' ' 118' ' ' LYS . 70.3 p -73.15 -177.55 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.55 -69.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.68 169.22 14.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.6 p -52.63 -21.16 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.449 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 18.3 mt -74.63 -44.14 51.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -68.33 -36.42 79.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.534 ' HA ' HG21 ' A' ' 112' ' ' THR . 6.5 ttpt -57.67 -65.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -45.95 -46.99 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.524 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 1.6 m -50.82 -45.14 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.563 ' CD2' HD23 ' A' ' 47' ' ' LEU . 45.8 m95 -64.86 -57.77 7.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.7 t -42.07 -41.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.62 -42.15 68.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.611 ' HB3' HD13 ' A' ' 49' ' ' LEU . 13.7 m-20 -61.08 -31.82 71.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.442 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 15.7 mt -90.79 -37.93 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -72.38 -28.36 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.03 -26.53 73.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.457 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 129' ' ' VAL . 2.5 p -92.69 -56.62 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 128' ' ' CYS . 14.6 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.8 mp -49.5 110.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -81.7 -45.78 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HG2' ' CD2' ' A' ' 121' ' ' TRP . 3.4 tpm_? -161.32 141.08 10.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -151.75 139.31 19.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' OE2' ' A' ' 21' ' ' GLU . . . -167.01 -175.88 37.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.3 97.09 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -129.03 171.31 12.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -96.45 142.15 28.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.76 162.81 26.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.9 ptp -156.05 166.14 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' CD2' ' A' ' 108' ' ' TYR . 82.4 t -124.71 133.7 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.25 107.3 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 93.2 m95 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.765 0.317 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -127.13 128.53 46.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -56.15 122.91 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.429 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 15.0 p -150.81 172.33 15.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 34.5 ttm180 -124.42 129.43 50.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.661 HD11 HD12 ' A' ' 60' ' ' LEU . 13.1 tp -99.31 118.89 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 tp -124.18 121.04 34.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 tt -111.99 97.83 6.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -118.67 154.95 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 58' ' ' PHE . 10.1 mtp85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CE1' ' HG2' ' A' ' 51' ' ' ARG . 30.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -151.87 126.58 9.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.661 HD12 HD11 ' A' ' 47' ' ' LEU . 1.2 mm? -90.38 133.09 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -125.04 129.48 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.5 m-85 -111.92 101.26 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -85.34 112.46 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 65' ' ' PRO . 1.8 t -130.25 105.39 16.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.66 170.38 58.34 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.359 -0.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.7 Cg_endo -69.77 -0.86 7.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.4 -28.05 16.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.17 150.56 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.1 m -75.99 -39.23 56.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -104.59 139.9 20.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 142.83 48.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -79.16 -46.11 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.2 t -122.07 67.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.1 p -74.42 109.88 8.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.564 HG21 HG11 ' A' ' 102' ' ' VAL . 72.5 mt -118.94 131.57 24.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.669 0.747 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.05 68.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.6 HD23 HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -54.86 -42.4 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -52.73 -37.61 59.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.48 -48.54 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -57.94 133.87 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pt -129.11 -33.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -144.18 138.39 28.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 83' ' ' VAL . 6.8 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.483 ' HB3' ' N ' ' A' ' 115' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.883 0.373 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 111' ' ' GLU . 20.6 p -141.74 162.45 35.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 9.3 p90 -161.26 138.76 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.67 HG22 HG12 ' A' ' 109' ' ' ILE . 21.6 t -94.56 138.36 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.3 mt -114.51 104.04 11.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -96.05 102.79 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.564 HG11 HG21 ' A' ' 75' ' ' ILE . 3.9 m -74.22 167.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 2.8 pt-20 -61.68 -29.74 70.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.479 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 t30 -67.68 -30.14 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.44 47.96 0.95 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.97 123.06 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 14.7 mt-10 -93.96 128.1 40.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.404 ' CD2' HG22 ' A' ' 28' ' ' VAL . 68.7 m-85 -119.2 104.94 10.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.67 HG12 HG22 ' A' ' 99' ' ' VAL . 55.4 mt -86.74 107.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.2 mp -102.03 139.1 38.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.525 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 36.0 tt0 -112.6 109.32 18.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.766 HG22 HD13 ' A' ' 24' ' ' LEU . 39.6 p -87.79 176.38 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 117' ' ' GLN . 88.1 mt -48.33 -63.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -156.02 168.93 25.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 23.1 m -38.23 -36.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.07 -62.23 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.485 ' HG3' HD12 ' A' ' 113' ' ' ILE . 18.9 mm-40 -65.58 -41.8 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.53 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 8.7 tmtt? -52.57 -61.77 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.53 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.0 t60 -48.81 -37.9 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.6 m -61.79 -59.66 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' TRP . . . . . 0.593 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 48.2 m95 -45.53 -59.26 2.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.7 t -45.75 -31.17 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -70.96 -59.08 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.43 ' OD1' ' HA ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -52.7 -48.85 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.7 mt -60.55 -67.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' CG ' HG11 ' A' ' 83' ' ' VAL . 11.2 mt-30 -55.01 -27.78 46.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.04 -28.85 64.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 129' ' ' VAL . 49.2 t -93.56 -62.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 128' ' ' CYS . 4.1 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -167.2 165.83 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.385 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -153.38 135.17 14.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.76 -56.3 0.67 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m 61.32 41.82 12.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -90.19 -51.67 5.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.82 179.49 18.68 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -105.34 98.14 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -110.7 92.71 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.26 119.06 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.58 127.57 40.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.94 24.2 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 13' ' ' VAL . 10.6 p -43.0 128.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -102.49 44.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.4 mt -120.23 -177.77 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -97.2 143.96 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -52.52 65.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.8 mp -62.05 115.56 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -71.03 -46.46 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.435 HH22 ' NE2' ' A' ' 117' ' ' GLN . 17.9 ttt-85 -164.87 146.35 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.54 ' OE1' HD13 ' A' ' 48' ' ' LEU . 72.8 tt0 -146.38 135.11 22.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.71 165.63 36.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.45 108.24 19.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.695 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -136.16 172.19 13.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.57 148.28 23.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.47 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -138.56 152.31 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.479 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 4.4 ptp -153.67 150.23 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -109.21 130.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.1 104.56 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -160.31 173.4 15.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -52.15 37.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.454 ' HB1' ' NE2' ' A' ' 41' ' ' GLN . . . 54.39 25.21 5.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.53 44.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.0 p -87.79 44.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.24 -159.51 27.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -43.39 2.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.323 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.73 156.76 33.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.96 -80.12 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.64 142.92 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' TRP . . . -55.83 113.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' NE2' ' HB1' ' A' ' 32' ' ' ALA . 30.7 mm-40 -41.21 -26.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ALA . 74.6 m95 -39.73 124.24 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -116.57 142.85 46.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.581 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -74.59 127.95 34.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB2' HG22 ' A' ' 64' ' ' VAL . 7.5 p -157.55 163.92 37.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -116.45 122.06 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.644 HD23 ' CD2' ' A' ' 121' ' ' TRP . 13.2 tp -90.36 118.89 30.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.54 HD13 ' OE1' ' A' ' 21' ' ' GLU . 18.7 tp -122.95 112.82 18.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.717 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.5 tt -100.56 107.19 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HD2' HD21 ' A' ' 48' ' ' LEU . 10.0 ptm180 -137.28 148.31 46.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 6.9 ptp180 -65.78 144.71 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.21 163.76 12.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.535 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 29.1 m -118.71 163.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 53' ' ' VAL . . . 73.64 42.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' GLU . . . 107.35 -78.35 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' GLY . 4.3 tp10 -36.38 134.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 9.6 ptt-85 -77.71 -54.13 6.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.536 ' CD1' ' HA ' ' A' ' 51' ' ' ARG . 12.5 m-85 -139.71 173.12 11.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -158.26 127.72 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 77' ' ' LEU . 2.6 mm? -88.95 135.38 33.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -122.46 131.08 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.724 ' O ' HG23 ' A' ' 64' ' ' VAL . 5.1 m-85 -115.27 80.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.75 105.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -128.21 108.58 19.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 111.154 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.21 64.53 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.331 -0.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.58 7.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.387 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -104.23 -4.74 22.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 150.83 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -30.56 66.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -126.5 154.65 75.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.74 43.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.736 2.291 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -83.4 -48.38 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 73' ' ' VAL . 43.8 t -116.72 59.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.2 p -70.55 104.67 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.516 HG23 ' HD2' ' A' ' 76' ' ' PRO . 60.7 mt -111.85 134.97 21.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.9 Cg_endo -69.76 149.28 66.66 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.725 2.284 . . . . 0.0 112.37 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.05 -16.09 63.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -75.61 -29.94 59.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -61.48 -41.19 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.11 125.21 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 102' ' ' VAL . 0.5 OUTLIER -119.25 -19.3 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -168.15 132.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.534 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.4 p -112.24 104.1 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -85.71 129.22 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.7 p -103.13 17.0 25.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.589 ' O ' ' HE3' ' A' ' 87' ' ' MET . 46.9 p -94.1 175.14 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.589 ' HE3' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -135.18 152.82 77.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 110.86 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -163.59 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 89' ' ' LEU . 11.9 tp -90.74 -23.86 20.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -85.67 -6.68 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -103.9 135.55 19.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 5.92 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 64.77 54.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.513 ' HZ1' ' CD ' ' A' ' 111' ' ' GLU . 28.4 mtpt -49.52 143.83 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -79.48 -9.35 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.65 59.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.9 p -152.96 149.52 28.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.0 p90 -155.83 151.8 27.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 17.7 t -102.61 145.51 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.416 HD21 ' CE1' ' A' ' 98' ' ' PHE . 23.3 mt -120.96 106.67 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -93.42 115.7 28.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.51 ' O ' HD11 ' A' ' 81' ' ' ILE . 4.4 m -93.65 -177.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.9 pt-20 -78.92 -10.26 59.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.21 30.53 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 45.5 59.11 4.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.441 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -139.44 128.1 23.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.733 0.301 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 41.5 mt-10 -105.1 132.62 51.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -118.53 101.79 8.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.479 ' HB ' ' CG ' ' A' ' 27' ' ' MET . 78.2 mt -79.17 114.76 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.586 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.7 mp -110.73 157.3 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.513 ' CD ' ' HZ1' ' A' ' 94' ' ' LYS . 18.5 tt0 -136.54 114.77 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.695 HG22 HD13 ' A' ' 24' ' ' LEU . 82.8 p -93.52 179.65 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.1 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.22 -71.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 14.7 p-10 -137.03 175.82 9.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 p -51.44 -18.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -72.77 -48.78 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.435 ' NE2' HH22 ' A' ' 20' ' ' ARG . 4.1 mm100 -70.26 -49.5 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -46.27 -69.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -40.46 -58.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 27.4 t -40.97 -60.4 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.644 ' CD2' HD23 ' A' ' 47' ' ' LEU . 39.2 m95 -44.58 -57.92 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -45.38 -28.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -80.25 -42.02 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.717 ' HB3' HD13 ' A' ' 49' ' ' LEU . 19.8 m-20 -61.55 -36.77 81.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.462 HG23 HD21 ' A' ' 77' ' ' LEU . 25.9 mt -78.35 -56.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.57 ' HA ' HG12 ' A' ' 129' ' ' VAL . 11.6 mm100 -57.6 -36.43 71.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.51 -22.99 68.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.4 m -93.74 -53.91 3.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 126' ' ' GLN . 10.7 p -49.25 -42.45 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.477 ' N ' HG13 ' A' ' 129' ' ' VAL . 4.1 m-20 -77.74 -51.82 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 132' ' ' GLY . 13.4 t -43.52 -46.52 6.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' SER . . . -37.27 146.06 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 160.25 50.4 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.5 t -61.81 -57.06 13.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 t -110.31 154.96 22.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.447 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -159.74 168.89 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -163.81 164.09 23.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.14 111.37 1.39 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 p -146.84 146.66 30.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.916 0.388 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -152.86 173.7 15.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.8 41.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -42.84 138.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -140.75 167.78 21.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.94 46.81 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.79 126.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -172.39 163.26 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 13' ' ' VAL . 14.9 p -69.17 101.67 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.542 ' C ' HD13 ' A' ' 15' ' ' LEU . 2.6 tm-20 -112.5 26.99 10.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.629 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -115.02 16.77 17.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 p -176.9 145.57 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.6 -50.22 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.38 109.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.503 ' HB2' HD22 ' A' ' 49' ' ' LEU . 23.7 mm-40 -78.8 -44.87 22.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -159.05 141.84 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 1.4 tm-20 -147.2 121.56 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.07 -175.35 20.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.62 92.99 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 110' ' ' LEU . 0.1 OUTLIER -124.23 173.31 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -95.68 139.01 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -125.91 164.17 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.406 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 4.7 ptp -157.72 160.02 37.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.2 t -121.48 123.78 70.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 104.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.48 150.02 33.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.44 163.37 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -164.44 164.91 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.8 -60.45 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.9 p -134.77 134.47 40.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.39 -161.88 9.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 178.48 4.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.334 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.08 75.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.78 -53.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.6 p -120.69 175.41 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.14 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' HB1' ' HD1' ' A' ' 42' ' ' TRP . . . -65.76 124.24 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' TRP . 34.2 tt0 -37.02 -35.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 98.5 m95 -34.88 128.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -116.47 125.37 51.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.571 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.2 mtpm? -58.44 133.54 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.66 ' HB2' HG22 ' A' ' 64' ' ' VAL . 18.1 p -158.57 172.85 17.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -124.34 115.07 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.527 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 11.6 tp -86.58 123.32 31.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.9 tp -128.17 119.64 25.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.6 tt -103.17 99.03 8.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -115.04 148.15 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -83.35 141.93 31.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 56' ' ' GLU . . . -95.92 137.28 35.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -116.71 148.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 53.92 48.54 21.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.73 -103.73 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HG2' ' CB ' ' A' ' 52' ' ' ALA . 5.7 pt-20 -95.45 179.38 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 9.5 tpt180 -80.23 -71.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.53 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 12.4 m-85 -126.81 168.3 14.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -153.88 127.33 8.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.777 HD23 HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -94.58 140.23 30.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -128.47 124.54 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.797 ' O ' HG23 ' A' ' 64' ' ' VAL . 6.5 m-85 -107.26 79.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -60.92 104.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 62' ' ' PHE . 2.1 t -127.36 115.6 21.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 111.166 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.53 57.76 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.354 -0.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 3.26 2.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -109.74 0.59 18.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.76 148.23 31.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.4 m -75.03 -32.8 61.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -111.2 147.11 35.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 142.75 48.96 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 40.6 tttp -86.8 -47.71 8.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.06 66.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.0 p -75.36 100.83 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.564 HG23 ' HD2' ' A' ' 76' ' ' PRO . 78.2 mt -110.95 136.24 20.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.576 0.703 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.564 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.7 Cg_endo -69.82 150.64 68.09 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.777 HD23 HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.76 -17.82 64.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.2 p -72.74 -35.73 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -56.47 -42.78 78.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.9 mm -58.04 123.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.57 -22.93 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -162.38 142.11 9.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.7 p -116.83 98.17 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -71.16 73.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.2 p -51.87 -17.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.9 t -90.89 149.89 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 30.3 mmt -102.39 152.81 38.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.537 0.684 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -165.25 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.6 tp -79.49 11.61 2.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -121.0 38.06 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.467 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 2.8 ttt -159.57 141.22 9.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 91' ' ' MET . 53.5 Cg_endo -69.76 3.47 2.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 68.83 50.03 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -53.32 126.56 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.94 -2.1 8.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -122.96 43.74 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 p -145.14 148.86 34.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.712 ' CD1' HD21 ' A' ' 100' ' ' LEU . 11.1 p90 -151.12 152.62 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 83' ' ' VAL . 33.8 t -109.16 134.93 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.712 HD21 ' CD1' ' A' ' 98' ' ' PHE . 8.8 mt -110.92 109.67 19.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -98.08 110.94 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 102' ' ' VAL . 4.7 m -82.32 175.01 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.0 pt-20 -69.5 -30.04 67.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 10.9 m-20 -70.49 -15.59 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.21 53.88 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.1 126.28 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 17.5 mt-10 -95.64 129.49 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -116.78 97.2 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.46 ' C ' HD12 ' A' ' 110' ' ' LEU . 20.3 mt -79.86 115.86 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.706 HD21 ' HE2' ' A' ' 62' ' ' PHE . 7.8 mp -110.91 152.39 26.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.504 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 31.6 tt0 -121.29 107.66 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 24' ' ' LEU . 25.8 p -87.62 175.66 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.91 -67.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -143.18 167.59 21.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 t -41.79 -29.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.2 mp -61.65 -51.82 66.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -67.27 -47.55 70.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -46.87 -64.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -47.4 -52.01 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 124' ' ' ASP . 1.7 m -45.67 -43.64 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.527 ' CZ2' ' HB3' ' A' ' 47' ' ' LEU . 48.3 m95 -68.63 -60.18 2.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -38.71 -46.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.06 -50.4 64.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.58 ' HB3' HD13 ' A' ' 49' ' ' LEU . 28.7 m-20 -52.08 -37.06 52.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.8 mt -83.81 -63.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -46.17 -36.91 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.505 ' O ' ' CA ' ' A' ' 132' ' ' GLY . . . -70.59 -37.83 68.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.53 ' SG ' ' CD2' ' A' ' 58' ' ' PHE . 90.4 m -76.15 -32.78 59.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' CYS . 40.3 t -34.37 -49.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 129' ' ' VAL . 3.6 m-20 -176.47 134.79 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.2 p 54.81 54.98 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 127' ' ' GLY . . . -71.3 -80.52 0.33 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -3.44 12.07 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.3 t -39.77 155.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.5 p -165.31 148.07 7.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 p -70.84 83.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -140.84 122.71 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.47 -43.01 25.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -44.0 -59.71 2.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -38.93 139.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.27 137.04 13.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -165.4 132.0 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.67 163.06 13.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.03 131.2 38.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.93 105.85 12.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -134.98 128.33 32.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -137.43 140.12 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -75.84 108.77 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 15' ' ' LEU . 3.2 pp -128.84 178.03 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.83 137.76 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -48.49 -57.66 5.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.5 mp -52.34 116.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -86.78 -48.24 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' CD ' ' HB3' ' A' ' 120' ' ' SER . 26.6 ttm-85 -161.41 140.71 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -148.27 126.8 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.89 -176.75 20.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.79 101.09 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.37 173.64 11.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -95.76 141.41 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.71 155.65 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.411 ' HE3' ' CD2' ' A' ' 42' ' ' TRP . 7.8 ptp -151.04 162.43 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.2 t -123.98 126.16 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.71 104.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -164.85 152.04 11.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -89.1 171.36 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -146.81 124.57 11.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.02 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.1 m -156.6 172.04 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.67 -170.94 21.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 176.67 6.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.09 -163.16 9.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.1 -179.06 42.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.1 m -69.0 -54.45 15.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 111.102 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.32 141.58 37.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -57.56 -19.72 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.518 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.1 m95 -50.19 137.58 17.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -129.55 130.4 45.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.538 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.0 ptpt -60.92 129.24 40.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.531 ' CB ' HG22 ' A' ' 64' ' ' VAL . 24.2 p -158.7 169.22 24.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 37.2 ttt180 -120.05 119.1 32.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 110' ' ' LEU . 12.8 tp -89.5 116.72 27.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 tp -119.57 117.99 29.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.664 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.5 tt -101.68 98.11 8.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -114.26 158.69 21.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -92.42 139.5 30.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.94 149.32 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.84 162.05 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 51.97 46.83 25.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.12 -138.32 6.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.501 ' OE1' ' CB ' ' A' ' 76' ' ' PRO . 21.0 tt0 -40.99 155.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -73.18 -70.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.511 ' CD2' ' CD2' ' A' ' 49' ' ' LEU . 5.8 m-85 -121.15 170.17 9.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -157.95 120.52 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.636 HD23 ' CD2' ' A' ' 77' ' ' LEU . 3.2 mm? -85.15 154.25 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -138.98 121.4 16.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.551 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.5 m-85 -103.39 86.08 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.0 109.08 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 62' ' ' PHE . 2.3 t -128.0 111.57 20.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.3 Cg_endo -69.73 170.18 59.62 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.317 -0.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.8 3.6 2.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.334 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -114.88 5.75 15.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.5 166.33 23.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -84.86 -34.76 22.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -120.53 151.69 54.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 149.41 67.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.282 . . . . 0.0 112.349 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -95.49 -45.36 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.9 t -124.95 67.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 m -74.08 111.28 9.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.621 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 82.7 mt -111.93 132.7 21.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.501 ' CB ' ' OE1' ' A' ' 56' ' ' GLU . 53.7 Cg_endo -69.77 147.84 63.66 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -70.09 -23.04 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -71.31 -31.49 67.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.473 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -64.97 -37.4 87.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.412 HD13 HG12 ' A' ' 102' ' ' VAL . 47.1 mm -60.14 123.91 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 pt -118.19 -36.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -143.87 134.14 24.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 p -124.8 129.63 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -94.54 157.84 15.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.582 HG22 HG21 ' A' ' 122' ' ' VAL . 40.5 p -125.96 -40.42 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.2 t -98.35 158.38 15.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.87 158.23 52.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.57 0.7 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.725 2.284 . . . . 0.0 112.349 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.37 47.95 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -123.98 -44.39 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.481 ' C ' ' H ' ' A' ' 93' ' ' GLU . 2.3 mmt -75.66 160.52 78.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 53.7 Cg_endo -69.7 19.78 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 91' ' ' MET . 57.0 mt-10 65.27 55.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -103.94 129.58 51.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.14 39.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.486 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 2.3 p-10 -135.0 32.17 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 111' ' ' GLU . 10.5 p -138.09 154.63 49.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.514 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.9 p90 -153.73 146.98 24.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.627 HG22 HG12 ' A' ' 109' ' ' ILE . 59.2 t -103.13 140.69 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.7 mt -109.96 105.85 15.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.6 99.83 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.412 HG12 HD13 ' A' ' 80' ' ' ILE . 8.0 m -77.36 176.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -70.42 -39.26 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -60.26 -23.33 64.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 98.57 51.75 1.39 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.8 129.43 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -100.49 124.12 45.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.621 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 53.3 m-85 -114.99 97.28 6.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.627 HG12 HG22 ' A' ' 99' ' ' VAL . 42.9 mt -77.47 116.24 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.087 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 47' ' ' LEU . 10.5 mp -111.45 140.62 45.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.518 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 39.9 tt0 -110.92 103.17 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.6 p -78.06 172.17 13.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.36 -63.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.85 167.72 20.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.9 p -45.18 -54.32 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 mt -43.07 -43.46 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -67.52 -47.49 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 118' ' ' LYS . 1.2 ttpm? -51.3 -69.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -43.15 -48.08 6.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.437 ' HB3' ' CD ' ' A' ' 20' ' ' ARG . 1.7 m -50.36 -49.85 52.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -60.09 -54.51 45.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.582 HG21 HG22 ' A' ' 85' ' ' THR . 61.8 t -48.48 -37.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.3 -49.08 29.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.664 ' HB3' HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -57.07 -33.91 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 44.1 mt -82.29 -61.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.446 ' O ' HG12 ' A' ' 129' ' ' VAL . 17.1 mt-30 -54.88 -31.41 59.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.46 -24.38 76.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 130' ' ' ASP . 64.4 m -91.81 -51.74 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 130' ' ' ASP . 2.2 p -34.63 -32.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 128' ' ' CYS . 6.0 m-20 -175.25 132.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.9 t -31.79 95.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 130' ' ' ASP . . . -129.71 120.88 3.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -47.17 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.9 t 55.04 41.37 31.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 96.5 p -120.94 99.64 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.462 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 m -144.91 157.7 44.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.7 p -62.57 -33.17 74.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.2 152.19 8.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.441 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 m 56.06 47.91 18.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -57.87 144.45 38.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.28 103.3 0.48 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -101.26 104.82 15.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tp 45.62 43.81 9.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.0 137.31 17.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.04 146.69 30.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.31 44.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -78.11 141.35 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -118.75 117.02 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.4 mt -146.05 174.5 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.3 132.63 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -59.95 4.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.762 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.0 mp -57.78 102.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.053 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.502 ' HB2' HD22 ' A' ' 49' ' ' LEU . 6.3 mm100 -64.27 -47.89 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -161.77 147.48 13.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.18 123.76 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.35 -178.63 28.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.27 115.1 23.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.827 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -147.08 172.99 12.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -95.06 149.25 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.483 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -135.26 154.27 51.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.7 ptp -150.96 155.76 39.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -114.48 128.37 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.22 101.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -164.7 145.61 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -101.36 163.08 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.65 -59.08 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.91 167.76 5.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 t -81.64 109.6 16.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.06 -164.31 11.32 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 89.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.02 -160.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.29 104.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.8 m -112.4 -42.67 3.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 111.127 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.37 96.36 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -97.1 124.32 41.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 67.6 m95 -77.77 163.57 26.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -138.36 122.36 17.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.53 ' O ' HG13 ' A' ' 64' ' ' VAL . 30.0 mtmm -56.6 131.97 50.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.531 ' CB ' HG22 ' A' ' 64' ' ' VAL . 4.1 p -158.37 174.98 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 30.1 ttm180 -126.3 119.95 28.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD23 ' CE3' ' A' ' 121' ' ' TRP . 11.5 tp -86.64 117.62 25.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.547 HD11 ' HE ' ' A' ' 50' ' ' ARG . 9.4 tp -115.3 120.27 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 19' ' ' GLN . 2.3 tt -114.06 99.99 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.547 ' HE ' HD11 ' A' ' 48' ' ' LEU . 13.1 ptp180 -136.72 157.89 45.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 14.7 mmm-85 -66.63 157.85 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.945 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -117.31 123.76 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ALA . 34.6 m -92.43 156.06 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . 37.54 52.4 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.66 -103.06 0.16 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.945 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 30.2 tp10 -117.57 163.84 15.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -53.18 -64.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.484 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 8.7 m-85 -127.89 170.5 12.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -158.25 125.93 5.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.68 HD23 HD23 ' A' ' 77' ' ' LEU . 1.1 mm? -94.76 133.6 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -122.86 127.63 49.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.5 m-85 -105.98 86.22 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -69.02 109.09 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.531 HG22 ' CB ' ' A' ' 45' ' ' CYS . 3.1 t -126.89 104.97 22.91 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.659 0.742 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.81 170.21 59.83 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.328 -0.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.8 1.51 4.4 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.64 2.227 . . . . 0.0 112.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -118.0 8.39 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.25 179.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.8 p -89.0 -26.55 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -143.46 155.44 60.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.22 39.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HE3' HG23 ' A' ' 73' ' ' VAL . 20.3 ttpp -80.9 -46.96 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.491 HG23 ' HE3' ' A' ' 72' ' ' LYS . 40.3 t -119.43 63.06 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.6 p -72.75 98.96 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' A' ' 76' ' ' PRO . 69.0 mt -109.56 134.96 20.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.729 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 75' ' ' ILE . 54.2 Cg_endo -69.72 150.23 68.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.68 HD23 HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.48 -15.31 62.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -80.26 -30.65 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.13 95.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.6 mm -59.65 113.46 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -99.05 -35.01 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -153.63 141.86 20.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.2 p -116.44 99.75 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -75.03 98.77 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.2 p -86.61 37.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.2 m -131.88 146.99 52.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -120.57 163.0 31.53 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -163.12 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.708 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -86.98 27.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -123.73 43.1 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.478 ' C ' ' H ' ' A' ' 93' ' ' GLU . 11.0 tpp -148.07 136.5 11.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.543 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 54.2 Cg_endo -69.78 20.72 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 92' ' ' PRO . 10.1 pt-20 47.96 55.06 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HE3' ' CG ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -91.53 -1.03 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.46 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.0 m-20 38.03 54.96 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.78 ' OD1' HG23 ' A' ' 97' ' ' THR . 2.3 p-10 -131.02 22.77 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.78 HG23 ' OD1' ' A' ' 96' ' ' ASN . 69.4 p -140.78 179.8 6.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.8 p90 -170.06 144.05 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.542 ' O ' HG23 ' A' ' 83' ' ' VAL . 16.9 t -100.1 134.97 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 83' ' ' VAL . 26.6 mt -111.48 102.97 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.952 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.28 107.59 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.628 ' CG2' ' HB3' ' A' ' 106' ' ' ALA . 2.8 m -87.08 178.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -67.77 -25.13 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' GLY . 4.4 m120 -89.13 37.54 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 37.27 62.17 0.92 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.515 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.628 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -135.11 126.02 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.457 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 73.6 mt-10 -102.0 132.8 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -119.51 102.65 8.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.432 HG22 ' CH2' ' A' ' 42' ' ' TRP . 62.3 mt -84.72 106.02 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.7 mp -105.77 140.03 39.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.747 ' HA ' HG22 ' A' ' 97' ' ' THR . 19.7 tt0 -110.53 111.97 23.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.827 HG22 HD13 ' A' ' 24' ' ' LEU . 62.5 p -95.03 174.35 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.493 HG13 ' NE2' ' A' ' 117' ' ' GLN . 26.5 mm -42.46 -75.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -152.25 176.56 11.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.2 p -39.82 -32.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.45 -61.15 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.493 ' NE2' HG13 ' A' ' 113' ' ' ILE . 25.6 mt-30 -70.92 -39.52 72.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -53.92 -58.38 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.3 t60 -58.35 -30.09 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 p -68.87 -43.98 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.572 ' CE3' HD23 ' A' ' 47' ' ' LEU . 33.5 m95 -62.59 -58.68 6.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.4 t -45.41 -44.07 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.38 78.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.423 ' HB3' HD13 ' A' ' 49' ' ' LEU . 13.6 m-20 -59.22 -40.77 86.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 68.9 mt -74.14 -63.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -52.75 -36.05 57.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.5 -15.53 70.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 17.0 m -95.41 -54.62 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.403 ' HA ' HD12 ' A' ' 77' ' ' LEU . 4.0 p -46.54 -32.53 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -76.2 -50.5 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.3 m -131.54 -74.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 160.16 -70.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 167.89 23.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.4 m -63.99 98.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 6.1 m -49.42 -59.62 3.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -123.65 148.8 46.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -150.07 172.5 15.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.8 151.07 11.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -124.87 -62.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 t -170.35 153.55 4.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.3 67.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -109.14 -33.28 6.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -84.65 47.16 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.0 80.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.054 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.14 -58.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -99.76 92.18 5.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.719 ' O ' HG13 ' A' ' 13' ' ' VAL . 13.6 p -93.21 93.23 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -86.72 51.52 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -87.11 143.66 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.2 t -52.82 130.36 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -38.93 -58.25 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.37 113.75 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.652 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 1.7 mt-30 -81.41 -55.13 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -146.02 141.99 28.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.513 ' HG3' HD13 ' A' ' 48' ' ' LEU . 2.3 tm-20 -149.74 118.91 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.65 177.77 27.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.445 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.83 94.33 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -122.94 172.21 8.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -95.42 146.65 24.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.741 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -134.42 152.45 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 ptp -154.05 154.44 33.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 108' ' ' TYR . 89.0 t -116.08 127.8 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.65 102.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -151.45 129.15 11.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.17 152.43 21.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.68 -52.98 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.53 42.42 27.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -113.15 -44.57 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.89 -172.48 30.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 159.65 52.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.09 -169.18 28.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.64 134.9 13.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.3 m -73.15 -55.6 6.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.24 99.18 6.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 132.37 51.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 78.1 m95 -88.76 147.76 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -126.76 123.4 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.653 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -55.12 134.84 49.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.726 ' CB ' HG22 ' A' ' 64' ' ' VAL . 10.2 p -158.83 171.39 20.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 56.9 ttp85 -123.5 113.49 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.602 HD11 HD12 ' A' ' 60' ' ' LEU . 12.6 tp -83.89 117.74 23.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD13 ' HG3' ' A' ' 21' ' ' GLU . 24.7 tp -125.57 118.69 26.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.819 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.2 tt -108.2 111.92 24.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -132.0 160.2 36.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -65.58 159.94 23.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.24 118.81 25.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.39 148.55 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.98 46.44 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.83 -141.07 7.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CD ' ' HB2' ' A' ' 78' ' ' SER . 9.6 tp10 -51.15 167.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.2 mtt85 -77.71 -52.61 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CZ ' ' CD ' ' A' ' 19' ' ' GLN . 11.2 m-85 -123.66 171.43 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -156.87 127.96 6.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD22 ' HG ' ' A' ' 49' ' ' LEU . 2.0 mm? -89.77 133.29 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -123.05 127.17 48.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.6 m-85 -107.54 90.08 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -76.78 108.62 9.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.741 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.4 t -129.6 113.71 17.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 54.0 Cg_endo -69.68 170.39 58.36 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.379 -0.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.75 3.01 3.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.47 11.66 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.68 165.26 25.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -92.17 9.47 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.478 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -167.26 151.18 6.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 155.48 65.92 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -106.23 -41.92 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 73' ' ' VAL . 86.0 t -126.88 63.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -74.76 114.46 13.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.557 HG21 HG11 ' A' ' 102' ' ' VAL . 61.2 mt -121.95 134.34 24.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.706 0.765 . . . . 0.0 111.068 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.1 Cg_endo -69.8 146.61 60.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.575 HD23 HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -54.16 -41.11 68.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.436 ' HB2' ' CD ' ' A' ' 56' ' ' GLU . 30.4 t -54.1 -37.51 64.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.72 -42.72 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.688 HD13 HG12 ' A' ' 102' ' ' VAL . 33.4 mm -65.6 129.36 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.6 -30.63 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -151.83 142.66 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.615 HG11 ' HG2' ' A' ' 126' ' ' GLN . 2.7 p -135.72 118.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -89.43 157.94 17.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.4 p -129.95 29.41 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.2 m -136.38 135.62 38.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.6 mmt -108.54 153.63 42.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -165.51 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -84.9 58.3 4.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -127.75 -33.86 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.7 mtt -93.4 165.49 18.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 10.93 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 74.96 52.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -95.14 174.95 6.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -128.33 46.67 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -135.04 32.77 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.4 p -142.56 147.93 36.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 4.5 p90 -151.32 147.82 27.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 83' ' ' VAL . 41.6 t -101.65 135.97 35.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.148 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.56 104.95 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -95.48 102.45 14.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.688 HG12 HD13 ' A' ' 80' ' ' ILE . 4.5 m -79.58 178.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -24.21 63.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -86.03 30.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.06 59.88 3.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.444 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -137.58 122.2 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.457 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 19.3 mt-10 -96.52 135.08 38.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.463 ' CD2' HG22 ' A' ' 28' ' ' VAL . 70.6 m-85 -122.37 95.39 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.413 HG22 ' HH2' ' A' ' 42' ' ' TRP . 40.0 mt -76.11 111.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 8.6 mp -109.66 142.28 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 31.6 tt0 -114.18 108.47 17.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.481 HG22 HD13 ' A' ' 24' ' ' LEU . 44.8 p -83.78 -177.03 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.583 ' H ' HD12 ' A' ' 113' ' ' ILE . 5.3 mp -67.32 -58.76 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.695 ' OD2' HD13 ' A' ' 116' ' ' LEU . 43.2 p-10 -149.87 177.93 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 89.5 p -57.24 -23.49 48.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.695 HD13 ' OD2' ' A' ' 114' ' ' ASP . 5.2 mp -69.48 -39.53 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.435 ' HG3' HD13 ' A' ' 113' ' ' ILE . 38.7 mm-40 -83.4 -37.86 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.404 ' HA ' HG21 ' A' ' 112' ' ' THR . 14.8 tttp -58.56 -65.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -46.4 -42.55 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -61.01 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.56 ' CE3' HD23 ' A' ' 47' ' ' LEU . 30.7 m95 -61.63 -62.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.7 t -39.63 -33.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.97 -49.4 45.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.819 ' HB3' HD13 ' A' ' 49' ' ' LEU . 43.3 m-20 -52.86 -35.01 56.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.93 -67.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.615 ' HG2' HG11 ' A' ' 83' ' ' VAL . 10.7 mm100 -48.95 -32.3 8.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.07 -41.31 92.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 129' ' ' VAL . 41.1 t -82.62 -54.69 4.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 128' ' ' CYS . 51.5 t -29.61 -52.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 131' ' ' SER . 17.4 m-20 -167.72 130.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 130' ' ' ASP . 1.8 m -31.05 97.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 130' ' ' ASP . . . -145.02 69.15 0.4 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.03 11.2 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 135' ' ' SER . 65.8 p -111.82 136.89 50.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 134' ' ' SER . 1.8 m -35.48 -47.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -121.95 97.57 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -91.91 96.65 10.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.77 111.79 0.47 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -104.0 114.92 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 7' ' ' GLY . 35.8 p -113.31 -51.89 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.49 -141.56 0.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -172.23 122.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -77.24 131.81 38.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.86 166.91 10.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.09 -179.77 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 43.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 p -123.34 140.17 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' LEU . 1.3 tm-20 -91.8 44.5 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 16' ' ' VAL . 2.5 tt -37.19 131.61 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.417 ' N ' HD23 ' A' ' 15' ' ' LEU . 95.8 t -64.49 127.06 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -53.55 -48.36 69.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.7 mt -77.86 131.94 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.619 ' HB2' HD22 ' A' ' 49' ' ' LEU . 8.0 mm100 -95.54 -47.26 6.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -162.53 139.31 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.631 ' HG3' HD13 ' A' ' 48' ' ' LEU . 1.3 tm-20 -147.44 131.22 16.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.57 32.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.75 97.72 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -133.74 173.58 11.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 42' ' ' TRP . 28.0 mtm180 -93.57 154.57 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.722 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -143.25 146.82 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.0 ptp -144.26 154.96 43.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.431 HG22 ' CD2' ' A' ' 108' ' ' TYR . 97.1 t -113.83 131.12 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.42 102.87 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -164.18 153.61 13.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -101.97 97.7 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.35 143.48 44.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 45.01 42.21 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.2 p -62.25 159.47 14.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.32 -144.98 6.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 1.61 4.22 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.55 167.13 39.98 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.33 116.53 0.63 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 p -117.46 157.34 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.14 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.25 98.0 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -96.16 125.64 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 43.9 m95 -77.06 167.08 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -135.23 129.16 33.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -61.39 130.06 44.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.574 ' CB ' HG22 ' A' ' 64' ' ' VAL . 8.6 p -158.84 173.49 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 46.9 ttt180 -123.31 112.35 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 110' ' ' LEU . 21.3 tp -83.96 113.32 20.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.631 HD13 ' HG3' ' A' ' 21' ' ' GLU . 11.6 tp -119.4 126.43 51.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.0 tt -106.5 97.55 7.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' HG3' HD11 ' A' ' 48' ' ' LEU . 37.8 mtm180 -111.16 153.6 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 7.3 ttm180 -87.85 141.25 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -92.42 152.28 19.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.62 150.87 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 46.05 47.84 12.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.01 -98.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 4.2 tp10 -102.21 165.81 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.425 ' NH2' ' HA ' ' A' ' 78' ' ' SER . 12.9 ptt-85 -66.6 -55.3 15.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.507 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 10.3 m-85 -140.79 173.17 11.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -157.4 131.08 8.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.508 HD23 ' CD2' ' A' ' 77' ' ' LEU . 2.2 mm? -92.46 150.96 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -134.55 131.09 37.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.4 m-85 -116.17 88.35 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -72.56 113.01 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.722 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -133.68 107.76 11.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 170.79 56.85 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.295 -0.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.453 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.4 Cg_endo -69.73 -0.86 7.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.84 -17.85 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.45 139.9 58.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -69.16 -33.47 73.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -108.52 143.54 27.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 143.4 50.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -83.17 -48.31 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.94 66.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.0 p -73.65 101.2 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.654 HG21 HG11 ' A' ' 102' ' ' VAL . 71.6 mt -105.55 133.19 20.3 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.649 0.738 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.465 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.1 Cg_endo -69.84 147.62 62.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.302 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -64.09 -21.1 66.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.425 ' HA ' ' NH2' ' A' ' 57' ' ' ARG . 3.7 t -73.39 -32.65 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.43 -39.27 86.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.492 HD13 HG12 ' A' ' 102' ' ' VAL . 50.3 mm -58.0 130.47 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.33 -30.1 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -157.8 140.11 14.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.7 p -119.61 98.31 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -75.71 104.73 6.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.6 p -84.31 32.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.5 m -136.02 149.67 48.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.537 ' CE ' HG23 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -120.1 159.98 44.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.911 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -162.88 0.1 OUTLIER 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -78.17 41.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -135.0 20.47 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.422 ' C ' ' H ' ' A' ' 93' ' ' GLU . 2.0 tpp -130.46 136.97 29.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' ' 93' ' ' GLU . 53.8 Cg_endo -69.76 11.36 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 91' ' ' MET . 4.9 tp10 71.9 54.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' CG ' ' HG2' ' A' ' 92' ' ' PRO . 2.1 mmmm -99.4 136.66 39.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.19 42.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.484 ' HA ' ' CB ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -134.06 24.45 3.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.3 p -135.33 157.83 45.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CD1' HD21 ' A' ' 100' ' ' LEU . 23.2 p90 -160.83 145.79 14.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.537 HG23 ' CE ' ' A' ' 87' ' ' MET . 97.1 t -104.9 136.03 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD21 ' CD1' ' A' ' 98' ' ' PHE . 12.4 mt -110.35 105.9 15.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -95.36 101.28 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.654 HG11 HG21 ' A' ' 75' ' ' ILE . 4.0 m -76.75 177.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.02 -22.53 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -88.25 34.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.92 61.39 1.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.532 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -139.64 122.44 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -97.55 136.42 37.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.452 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 68.3 m-85 -124.14 97.02 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.537 HG12 HG22 ' A' ' 99' ' ' VAL . 46.2 mt -77.27 116.5 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.569 HD23 HD22 ' A' ' 47' ' ' LEU . 8.0 mp -114.5 146.01 41.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 30.5 tt0 -124.02 113.05 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.565 HG22 HD13 ' A' ' 24' ' ' LEU . 37.2 p -86.06 -177.3 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.204 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.74 -65.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -134.05 174.04 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 51.9 p -60.25 -25.71 65.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.01 -39.02 79.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -80.93 -26.97 36.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.484 ' CB ' ' HA ' ' A' ' 96' ' ' ASN . 2.8 tmtt? -70.55 -62.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.483 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -41.88 -42.4 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 4.5 t -56.96 -50.18 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.449 ' CE2' HD23 ' A' ' 47' ' ' LEU . 47.3 m95 -53.37 -63.5 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.5 t -41.55 -40.42 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.68 -42.25 64.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.623 ' HB3' HD13 ' A' ' 49' ' ' LEU . 4.5 m-20 -60.32 -40.26 89.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.68 -65.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -48.2 -38.51 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.9 -40.94 95.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 129' ' ' VAL . 82.5 m -76.79 -44.85 31.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.458 ' O ' ' CG ' ' A' ' 130' ' ' ASP . 42.2 t -33.6 -48.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 131' ' ' SER . 21.8 m-20 -168.58 130.62 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 130' ' ' ASP . 11.7 t -31.12 99.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -107.34 -161.74 21.56 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 134' ' ' SER . 54.1 Cg_endo -69.71 3.08 2.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.381 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 133' ' ' PRO . 29.7 m -33.53 -63.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 53.2 p -103.08 139.6 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.6 p -87.26 130.88 34.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -173.08 162.85 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.89 -165.98 18.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -71.25 164.06 26.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.382 . . . . 0.0 110.86 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -146.22 155.64 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.88 -137.77 2.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.571 ' C ' HD13 ' A' ' 9' ' ' LEU . 16.1 p30 -93.47 176.12 6.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.841 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -146.67 -179.88 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.65 150.73 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.78 80.11 5.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -115.83 144.53 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 p -98.83 144.88 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.12 123.13 16.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.3 mt -137.59 -178.14 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 18' ' ' ILE . 10.9 p -99.53 147.67 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -52.37 64.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.556 ' O ' HG13 ' A' ' 16' ' ' VAL . 41.7 mt -64.98 138.13 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.606 ' CG ' HD22 ' A' ' 49' ' ' LEU . 10.9 mm100 -94.1 -38.11 11.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -171.83 135.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' CD ' HD13 ' A' ' 48' ' ' LEU . 63.6 tt0 -137.16 133.17 34.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.98 166.23 32.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.71 100.2 10.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -130.7 173.49 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -99.66 151.49 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.444 ' CE1' HG21 ' A' ' 64' ' ' VAL . 1.5 p90 -140.99 158.93 43.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.63 ' HE2' ' HB2' ' A' ' 41' ' ' GLN . 9.9 ptp -152.24 162.13 41.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 108' ' ' TYR . 87.5 t -117.78 133.2 65.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.41 104.08 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.25 153.06 31.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.04 110.43 22.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.54 123.8 9.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.96 -45.17 6.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.5 m -49.02 -57.12 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.32 -165.23 32.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 178.14 4.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.647 2.232 . . . . 0.0 112.328 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.18 -67.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.57 -53.71 2.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.4 t -65.46 158.86 25.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.124 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HB1' ' HD1' ' A' ' 42' ' ' TRP . . . -74.93 120.22 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.63 ' HB2' ' HE2' ' A' ' 27' ' ' MET . 35.7 mm-40 -48.74 -33.84 11.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.486 ' CD2' ' HE3' ' A' ' 27' ' ' MET . 97.1 m95 -35.75 120.44 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -121.55 128.9 52.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -57.3 130.14 44.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' HG22 ' A' ' 64' ' ' VAL . 8.2 p -154.31 165.57 35.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 54.0 ttt180 -118.01 112.55 20.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.536 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 10.1 tp -84.25 122.5 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.502 HD13 ' CD ' ' A' ' 21' ' ' GLU . 30.9 tp -126.11 111.73 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.606 HD22 ' CG ' ' A' ' 19' ' ' GLN . 4.6 tt -95.36 97.8 10.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -100.16 159.2 15.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 1.7 ttp180 -88.56 141.46 28.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.58 166.45 11.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' GLY . 32.6 m -75.25 163.48 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -32.07 -37.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' VAL . . . -47.76 -66.16 2.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.431 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 78' ' ' SER . 6.2 tp10 -110.01 156.88 19.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.574 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 6.4 ptp180 -63.17 -59.76 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 57' ' ' ARG . 11.8 m-85 -152.29 -175.03 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -150.71 132.57 15.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.444 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -107.5 134.64 50.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -120.59 149.25 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.4 m-85 -130.55 91.01 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -73.19 122.08 21.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.486 ' HB ' ' CD ' ' A' ' 72' ' ' LYS . 1.6 t -142.56 108.36 5.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.2 Cg_endo -69.79 170.28 59.4 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.327 0.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.79 1.11 4.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -10.16 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.76 148.26 44.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.039 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.0 t -75.9 -29.07 58.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -113.1 146.2 34.7 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.596 0.713 . . . . 0.0 110.818 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.42 35.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 56.8 tttt -82.37 -44.62 15.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 73' ' ' VAL . 95.8 t -122.09 66.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.9 p -67.69 118.25 10.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.5 mt -119.7 110.68 36.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.87 31.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 129' ' ' VAL . 0.4 OUTLIER -50.69 -28.66 9.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.433 ' HB2' ' CD ' ' A' ' 56' ' ' GLU . 38.6 t -62.57 -29.95 70.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.0 -35.1 57.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.44 138.23 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.62 -35.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.71 130.95 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.1 p -124.03 103.95 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -73.87 162.37 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 p -125.88 -23.12 4.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.2 m -106.6 113.19 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.418 ' HE1' ' HA ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -85.48 163.13 45.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -163.51 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 89' ' ' LEU . 4.2 mm? -72.2 65.22 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -135.03 14.87 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' A' ' 91' ' ' MET . 0.7 OUTLIER -166.53 155.28 9.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 13.37 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 91' ' ' MET . 38.4 mt-10 65.93 54.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -79.62 9.28 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 38.97 40.54 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -133.45 37.88 3.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 111' ' ' GLU . 21.0 p -144.86 161.18 39.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 11.5 p90 -158.75 137.39 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.706 HG22 HG12 ' A' ' 109' ' ' ILE . 60.5 t -97.3 144.95 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.2 mt -110.01 103.3 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.22 101.4 14.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 106' ' ' ALA . 1.7 m -82.87 160.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.25 -28.07 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -65.56 -29.58 70.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 110.24 10.84 21.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.827 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -99.02 135.59 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 111.136 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 3.2 mp0 -106.52 140.95 38.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.468 ' CE2' HG11 ' A' ' 73' ' ' VAL . 26.3 m-85 -126.28 107.65 10.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.706 HG12 HG22 ' A' ' 99' ' ' VAL . 31.0 mt -86.56 109.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -105.57 142.63 34.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.432 ' HA ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -112.1 145.28 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 113' ' ' ILE . 36.0 p -125.89 154.9 42.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.729 HD12 ' NE2' ' A' ' 117' ' ' GLN . 47.5 mt -33.4 -63.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.602 ' CG ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -146.25 -177.58 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.6 p -57.78 -30.92 66.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -61.73 -42.02 98.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.729 ' NE2' HD12 ' A' ' 113' ' ' ILE . 20.7 mt-30 -73.88 -42.3 60.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -55.4 -69.39 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -42.42 -42.7 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.6 m -55.57 -54.96 37.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.536 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 40.8 m95 -53.71 -61.3 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.9 t -39.96 -34.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -67.11 -57.94 5.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.567 ' HB2' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -56.62 -50.71 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.05 -64.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.498 ' HA ' HG12 ' A' ' 129' ' ' VAL . 14.0 mt-30 -53.37 -54.45 36.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -46.21 -19.26 0.38 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 86.4 m -95.11 -56.12 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 126' ' ' GLN . 4.1 p -55.13 -36.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -61.15 -68.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.5 m -119.4 -59.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 136.64 -75.64 0.39 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -23.69 30.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t -49.37 139.88 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 30.3 t -171.94 132.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -128.26 145.8 50.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -142.96 165.53 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.89 175.93 32.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -139.11 160.04 40.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -115.34 163.64 15.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.33 -143.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -142.52 113.65 7.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -74.29 96.85 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.54 159.77 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.22 123.19 27.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.5 tptm -122.35 150.0 43.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LYS . 11.3 p -33.98 140.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -87.31 93.8 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.791 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -101.36 161.84 13.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.573 ' C ' HD22 ' A' ' 15' ' ' LEU . 2.4 p -51.37 97.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' A' ' 16' ' ' VAL . 79.6 m-20 -30.85 -64.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.3 mp -54.3 98.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' CG ' HD22 ' A' ' 49' ' ' LEU . 26.5 mm100 -44.74 -63.24 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -152.64 166.06 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' OE2' HD13 ' A' ' 48' ' ' LEU . 29.5 tt0 -153.93 141.47 19.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.29 164.22 35.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.535 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.89 105.17 14.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -137.22 173.46 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 25' ' ' ARG . 2.7 mpt_? -91.09 144.91 25.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.768 ' CE1' HG21 ' A' ' 64' ' ' VAL . 1.1 p90 -128.91 158.87 37.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.933 ' HE1' ' HB2' ' A' ' 41' ' ' GLN . 5.8 ptp -160.36 163.18 33.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.5 t -121.18 143.4 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.47 111.31 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.33 -55.98 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.13 105.82 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.82 -60.22 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.87 -68.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 m -165.9 163.74 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.04 -162.08 8.96 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 124.09 10.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.631 2.221 . . . . 0.0 112.331 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.06 -170.37 52.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.2 59.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.5 p -113.25 169.18 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 111.143 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.653 ' HB1' ' HD1' ' A' ' 42' ' ' TRP . . . -84.95 99.56 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.933 ' HB2' ' HE1' ' A' ' 27' ' ' MET . 66.2 mt-30 -38.61 -28.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.653 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 95.5 m95 -36.37 120.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -123.01 134.25 54.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -59.35 127.51 32.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.522 ' HB2' HG22 ' A' ' 64' ' ' VAL . 2.6 p -157.69 167.83 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 46.3 ttt180 -117.28 120.62 38.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 60' ' ' LEU . 15.0 tp -90.21 114.53 26.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD13 ' OE2' ' A' ' 21' ' ' GLU . 15.3 tp -116.34 130.99 57.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.648 HD13 ' HB2' ' A' ' 124' ' ' ASP . 2.1 tt -117.13 104.5 11.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.521 ' C ' ' CD2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -132.38 146.04 51.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.514 ' N ' ' CE2' ' A' ' 58' ' ' PHE . 6.8 ptp180 -67.52 141.02 57.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -82.38 120.68 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 m -87.03 140.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 53.65 42.64 31.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -175.52 -135.32 2.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 17.2 pt-20 -62.17 -176.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -76.49 -53.13 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CD2' ' C ' ' A' ' 50' ' ' ARG . 13.5 m-85 -142.08 177.0 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 20.5 ttp180 -158.46 123.26 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.669 HD23 HD23 ' A' ' 77' ' ' LEU . 1.9 mm? -87.22 126.12 34.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -113.64 121.53 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 4.9 m-85 -103.24 93.07 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -76.83 114.24 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.768 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.5 t -133.9 107.72 11.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 170.11 59.85 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.339 -0.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.83 2.52 3.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -99.51 -20.3 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.62 142.64 57.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -68.97 -35.18 76.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -107.08 143.91 28.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.565 0.697 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.458 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 53.9 Cg_endo -69.79 141.16 44.38 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.445 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 46.0 tttt -78.36 -45.77 21.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.44 64.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.458 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 81.7 p -72.29 105.16 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.535 HG23 ' HD2' ' A' ' 76' ' ' PRO . 67.3 mt -113.63 135.34 21.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.535 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.6 Cg_endo -69.8 144.03 52.49 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.289 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.669 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -56.98 -39.8 75.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.8 p -51.84 -35.3 44.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.26 -44.65 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 15.1 mm -57.93 127.8 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.63 -35.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -149.4 128.67 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.649 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.8 p -109.7 96.98 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -80.07 113.45 18.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -90.29 38.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.487 ' O ' ' CE ' ' A' ' 87' ' ' MET . 39.7 p -135.77 174.22 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -140.3 157.65 68.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -164.4 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.746 2.297 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.57 51.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.7 -51.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.488 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 16.9 ttm -80.35 141.17 52.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 91' ' ' MET . 53.8 Cg_endo -69.74 12.54 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 91' ' ' MET . 10.7 tt0 75.02 51.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -72.86 122.65 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.93 36.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -134.99 25.99 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.877 HG22 ' HA ' ' A' ' 111' ' ' GLU . 15.0 p -141.81 177.87 7.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.9 p90 -171.24 142.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 39.9 t -99.08 136.31 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 83' ' ' VAL . 27.9 mt -109.54 103.52 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.53 102.66 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 106' ' ' ALA . 3.3 m -83.82 173.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.12 -20.22 64.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -90.67 36.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 38.63 63.03 1.06 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.579 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -142.79 121.07 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.442 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 74.5 mt-10 -99.8 131.8 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -118.23 103.34 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.573 HG22 ' CH2' ' A' ' 42' ' ' TRP . 21.7 mt -83.56 112.88 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.2 mp -111.15 137.52 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.877 ' HA ' HG22 ' A' ' 97' ' ' THR . 25.6 tt0 -107.45 110.24 22.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.626 HG22 HD13 ' A' ' 24' ' ' LEU . 51.9 p -84.75 -174.92 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.98 -64.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -141.35 -175.0 4.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.2 p -57.75 -34.47 69.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.452 ' H ' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -59.0 -61.92 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -57.57 -40.65 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -59.84 -69.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -42.92 -42.84 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.484 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 2.4 t -57.46 -55.87 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.419 ' HA ' ' OD1' ' A' ' 124' ' ' ASP . 44.5 m95 -49.67 -56.4 10.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.2 t -49.54 -25.77 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -77.09 -56.32 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.648 ' HB2' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -56.4 -53.49 56.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.7 mt -54.75 -63.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -51.96 -48.4 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.38 -34.24 54.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.441 ' SG ' ' CD1' ' A' ' 58' ' ' PHE . 24.5 m -74.42 -40.7 61.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 94.4 t -40.84 -50.59 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -121.72 -60.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 t -174.84 143.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -168.46 135.65 3.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.37 60.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 42.9 m -109.0 135.08 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 78.6 p -101.48 107.7 19.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -168.27 177.38 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.843 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -163.85 148.48 10.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.71 -130.96 3.59 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.538 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 t -165.45 155.2 12.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -140.2 121.13 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.63 164.61 24.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -69.85 84.96 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.571 ' CD1' ' HB2' ' A' ' 11' ' ' ALA . 2.8 pp -156.02 140.46 16.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.78 -55.88 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . . . 61.6 39.84 14.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -110.93 58.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.8 m -54.91 162.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -125.86 89.51 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -147.51 161.83 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 16' ' ' VAL . 12.8 p -62.04 126.41 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' VAL . 3.7 m-20 -35.32 -64.94 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.718 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.4 mp -51.48 128.21 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.505 ' CG ' HD22 ' A' ' 49' ' ' LEU . 23.0 mm100 -92.73 -57.88 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' ' 121' ' ' TRP . 5.0 tpm_? -152.37 144.36 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -146.68 120.8 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.6 170.81 33.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.85 101.05 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -129.21 173.63 10.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -98.76 141.2 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.653 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -130.44 162.89 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.463 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 10.2 ptp -154.82 164.59 38.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.6 t -122.54 125.06 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.15 102.86 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -168.97 160.87 10.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.29 103.1 15.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -127.83 152.35 47.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.63 155.33 39.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 t -104.83 148.42 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.81 -162.63 24.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 162.7 41.08 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.73 164.6 40.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.82 50.3 0.8 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 40' ' ' ALA . 26.9 m -102.43 155.34 18.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.32 . . . . 0.0 111.174 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' N ' HG22 ' A' ' 39' ' ' THR . . . -71.42 151.6 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 42' ' ' TRP . 69.9 mt-30 -48.64 -37.3 17.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.543 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 99.2 m95 -34.33 135.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -124.18 130.0 51.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -58.99 131.99 52.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.461 ' CB ' HG22 ' A' ' 64' ' ' VAL . 14.0 p -157.91 167.05 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 20.2 ttp180 -122.98 115.02 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.67 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 10.1 tp -84.12 123.85 30.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 tp -127.94 111.51 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.505 HD22 ' CG ' ' A' ' 19' ' ' GLN . 4.2 tt -103.58 103.62 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -120.39 171.04 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -78.77 156.74 28.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.11 165.21 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 54' ' ' ALA . 29.7 m -78.6 160.78 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -33.62 132.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.24 -64.37 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.76 136.7 32.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.8 mmt-85 -63.24 -70.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.441 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 14.9 m-85 -137.99 167.81 21.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -139.28 129.61 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.37 138.05 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -124.54 139.33 53.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.2 m-85 -123.23 90.5 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -73.01 107.68 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -127.28 107.93 21.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.3 Cg_endo -69.84 170.8 57.07 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.301 0.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.461 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.81 13.73 0.28 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 65' ' ' PRO . 37.7 mmtt -111.18 -24.59 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.38 147.77 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -69.66 -40.17 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -109.46 151.83 42.38 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.647 0.737 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.54 30.72 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.298 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -77.75 -47.27 19.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.496 HG12 ' O ' ' A' ' 73' ' ' VAL . 46.8 t -121.3 62.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.8 p -67.44 107.36 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.54 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 59.8 mt -112.25 121.85 38.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.15 17.12 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -42.82 -39.21 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.9 m -51.78 -40.13 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.27 84.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.035 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.442 HD13 HG12 ' A' ' 102' ' ' VAL . 51.1 mm -59.53 133.57 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 pt -126.74 -34.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -146.44 138.3 24.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.515 HG12 ' OE1' ' A' ' 126' ' ' GLN . 2.7 p -125.15 97.39 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -67.59 91.66 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.754 HG21 ' CG1' ' A' ' 122' ' ' VAL . 64.0 p -82.81 37.62 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.4 m -160.48 120.51 2.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.452 ' SD ' HG23 ' A' ' 99' ' ' VAL . 1.6 mpp? -98.39 162.41 21.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -166.53 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.782 ' H ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.72 48.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -105.9 -37.34 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.516 ' CG ' ' HB2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -96.32 122.07 58.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -57.48 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.281 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -134.98 29.76 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.516 ' HB2' ' CG ' ' A' ' 91' ' ' MET . 6.3 mtpt -99.99 81.58 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -98.9 33.29 2.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.483 ' HB3' ' N ' ' A' ' 115' ' ' SER . 5.9 p30 -127.46 43.08 3.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.0 p -136.32 143.64 44.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 9.7 p90 -141.02 138.65 33.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.577 HG22 HG12 ' A' ' 109' ' ' ILE . 57.7 t -95.42 134.58 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.3 mt -106.58 104.62 14.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.43 106.46 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 106' ' ' ALA . 2.0 m -83.58 172.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.202 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.72 -42.01 35.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -33.86 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 113.91 76.12 0.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.542 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.748 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -169.12 133.6 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -104.56 139.07 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.54 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 57.3 m-85 -124.29 105.37 9.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.577 HG12 HG22 ' A' ' 99' ' ' VAL . 71.8 mt -86.15 109.74 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -107.32 139.19 42.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.543 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 20.2 tt0 -113.93 121.33 43.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.505 HG22 HD13 ' A' ' 24' ' ' LEU . 39.2 p -95.69 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 89.4 mt -50.07 -60.82 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.453 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -147.35 164.66 32.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 40.3 t -46.77 -29.36 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 34.2 mt -64.0 -42.22 97.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -79.01 -24.82 43.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -70.14 -58.51 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -46.48 -39.16 10.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 3.6 t -60.65 -48.72 80.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.67 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 52.8 m95 -59.14 -56.32 23.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.754 ' CG1' HG21 ' A' ' 85' ' ' THR . 41.1 t -45.19 -40.76 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.99 -51.74 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.3 -40.14 73.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.6 -59.47 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.515 ' OE1' HG12 ' A' ' 83' ' ' VAL . 7.8 mm100 -53.12 -36.13 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.89 -25.68 70.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 129' ' ' VAL . 71.0 m -83.9 -62.11 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.491 HG13 ' CG ' ' A' ' 130' ' ' ASP . 12.3 p -36.51 -36.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.491 ' CG ' HG13 ' A' ' 129' ' ' VAL . 1.0 OUTLIER -175.6 131.84 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.1 t -32.16 98.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -127.56 -144.48 5.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 112.21 3.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.724 2.283 . . . . 0.0 112.298 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 51.4 p -107.16 145.4 32.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 39.7 t -117.63 153.93 32.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -37.39 133.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -156.55 175.33 14.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.61 152.72 8.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 p -113.99 164.23 14.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.856 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -110.42 147.54 33.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.96 -161.16 10.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -155.35 175.23 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 mt -149.64 145.39 26.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.18 98.16 5.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.9 170.21 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -66.34 146.09 54.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.7 t -72.94 102.74 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -126.09 96.61 4.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.17 122.6 38.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 17' ' ' ASP . 84.5 t -142.11 132.69 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 16' ' ' VAL . 57.1 m-20 -34.43 -60.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 50' ' ' ARG . 39.7 mm -67.34 115.7 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -81.93 -60.69 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -148.88 144.14 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -148.32 127.89 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.13 -173.42 22.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.71 98.48 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.801 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -130.93 173.84 10.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -98.09 139.96 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -124.39 160.38 28.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.421 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 5.4 ptp -156.98 155.9 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG22 ' CD2' ' A' ' 108' ' ' TYR . 87.8 t -115.12 134.47 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.07 106.04 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -147.06 152.44 38.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -107.44 108.74 20.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -143.89 152.16 40.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.87 101.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 p -106.72 148.13 28.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.8 -150.57 6.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 105.83 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.99 -60.93 0.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.21 -117.89 2.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 m -39.11 146.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.17 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.98 142.75 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -42.32 -36.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.581 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 99.6 m95 -34.84 130.89 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -119.29 124.99 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -55.53 129.45 38.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.454 ' CB ' HG22 ' A' ' 64' ' ' VAL . 23.9 p -155.19 164.79 38.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 28.5 ttt180 -117.51 119.12 34.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.695 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 12.9 tp -91.55 116.44 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.3 tp -119.73 111.53 18.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.697 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.6 tt -98.69 111.94 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HB3' HD13 ' A' ' 18' ' ' ILE . 7.1 ptm180 -143.54 145.61 32.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 58' ' ' PHE . 7.2 ptm180 -67.82 142.03 56.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -84.79 158.89 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.28 146.85 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 48.27 44.03 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.24 -128.18 1.12 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.608 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 9.6 tp10 -71.38 168.5 17.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -62.39 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 6.9 m-85 -127.58 174.07 9.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 76' ' ' PRO . 19.5 ttp180 -158.42 127.85 5.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD23 ' CD2' ' A' ' 77' ' ' LEU . 1.7 mm? -93.93 140.55 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -126.45 122.66 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.652 ' CE2' HD21 ' A' ' 110' ' ' LEU . 9.9 m-85 -104.35 91.57 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -71.62 106.75 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 45' ' ' CYS . 2.5 t -126.5 109.3 23.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.76 170.42 58.56 Favored 'Cis proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.354 -0.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.468 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.3 Cg_endo -69.77 4.03 2.43 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.643 2.228 . . . . 0.0 112.359 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -119.01 10.32 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.82 -176.98 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 p -99.08 -28.33 13.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -132.0 149.73 74.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.642 0.734 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.21 37.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -81.25 -49.95 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -114.97 69.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.9 p -80.03 100.13 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.663 HG23 ' HD2' ' A' ' 76' ' ' PRO . 70.5 mt -110.54 138.73 21.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.9 Cg_endo -69.78 150.41 68.06 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -65.64 -29.83 70.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.493 ' HB2' ' CG ' ' A' ' 56' ' ' GLU . 9.7 t -64.76 -35.2 80.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -54.71 -41.49 70.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.418 HD13 HG12 ' A' ' 102' ' ' VAL . 45.2 mm -58.68 128.32 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.9 -30.23 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -152.11 143.28 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.557 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.0 p -129.24 112.98 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.47 155.91 38.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.7 p -134.99 26.45 3.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.6 t -153.06 168.08 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.458 ' CB ' ' HB2' ' A' ' 91' ' ' MET . 0.0 OUTLIER -130.85 156.46 79.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.891 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -162.45 0.09 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.19 49.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 91' ' ' MET . 12.5 pt-20 -134.05 -42.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.458 ' HB2' ' CB ' ' A' ' 87' ' ' MET . 4.9 tpp -75.56 137.75 70.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.709 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.418 ' HG2' ' CG ' ' A' ' 94' ' ' LYS . 53.5 Cg_endo -69.75 17.09 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.373 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 91' ' ' MET . 1.3 tp10 74.26 55.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' CG ' ' HG2' ' A' ' 92' ' ' PRO . 48.0 mmtt -104.37 116.24 31.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.22 45.0 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.427 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 1.2 p-10 -134.97 36.62 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.4 p -152.76 155.04 36.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 7.1 p90 -159.82 144.98 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.584 HG22 HG12 ' A' ' 109' ' ' ILE . 73.2 t -100.16 128.32 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.405 HD21 ' CD1' ' A' ' 98' ' ' PHE . 19.1 mt -99.78 104.59 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -95.47 107.62 19.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 106' ' ' ALA . 5.5 m -87.18 176.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -70.24 -21.85 62.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -88.4 32.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.8 62.73 1.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -140.71 121.74 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.416 ' HB3' HG13 ' A' ' 99' ' ' VAL . 58.7 mt-10 -96.82 140.64 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.42 ' CD2' HG22 ' A' ' 28' ' ' VAL . 61.9 m-85 -130.82 96.04 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.584 HG12 HG22 ' A' ' 99' ' ' VAL . 52.9 mt -75.97 112.4 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.652 HD21 ' CE2' ' A' ' 62' ' ' PHE . 9.4 mp -109.14 137.92 46.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.581 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 29.3 tt0 -115.27 103.33 10.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.801 HG22 HD13 ' A' ' 24' ' ' LEU . 66.5 p -81.21 178.78 8.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.04 -64.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -151.4 -175.28 5.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -55.84 -28.1 54.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.88 -41.28 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -85.46 -43.0 13.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.546 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 3.3 tmtm? -55.32 -61.03 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.494 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 13.0 t60 -50.82 -34.47 27.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -67.26 -42.37 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.695 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 55.7 m95 -63.46 -59.14 5.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.546 HG21 ' HZ2' ' A' ' 118' ' ' LYS . 77.2 t -40.7 -43.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.13 -43.32 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.697 ' HB3' HD13 ' A' ' 49' ' ' LEU . 35.9 m-20 -61.21 -33.98 74.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.472 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 6.7 mt -87.99 -36.98 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.557 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 12.9 mm-40 -73.73 -26.03 60.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.09 -34.13 52.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' A' ' 125' ' ' ILE . 2.2 p -85.19 -50.71 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 130' ' ' ASP . 13.5 p -39.44 -43.22 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 129' ' ' VAL . 14.0 m-20 -173.69 132.8 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 130' ' ' ASP . 2.2 m -31.96 -60.47 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.92 -119.02 17.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -27.98 25.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.7 p -102.99 171.47 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 40.8 t -118.97 135.55 54.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -158.4 171.17 20.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -95.73 -47.21 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.25 173.98 27.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 t -143.46 160.79 39.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -123.62 157.32 34.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.43 136.35 4.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.54 84.88 7.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.878 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.91 105.78 13.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.83 138.9 43.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.77 121.31 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -95.36 125.39 39.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 p -138.49 136.01 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -126.62 114.39 17.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.41 179.13 6.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.86 133.33 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -39.11 -59.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.4 mt -53.37 103.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 24.2 mm100 -60.73 -52.05 66.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 17.0 mtt85 -163.1 167.63 22.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -153.47 143.79 22.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.18 166.19 35.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.82 98.98 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.667 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -128.45 173.0 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' CD ' ' HB3' ' A' ' 42' ' ' TRP . 48.7 mtt180 -93.84 140.99 29.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -129.69 160.99 31.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.8 ptp -154.86 166.46 33.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.4 t -126.4 128.49 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.43 101.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -150.43 175.71 11.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.44 -49.85 9.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 45.59 27.2 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.5 -47.0 24.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.1 t -101.23 93.35 5.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -172.76 -172.34 38.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 136.22 32.28 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.244 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.72 97.68 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.48 -122.58 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -55.01 -57.79 10.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.084 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -171.32 137.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' TRP . 27.7 mt-30 -37.15 -40.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.4 m95 -34.21 133.62 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -122.53 126.67 48.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 133.81 56.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 10.2 p -158.37 175.08 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.1 ttt180 -124.91 115.8 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.481 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 11.3 tp -88.48 115.15 25.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.3 tp -111.05 124.23 51.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.7 tt -108.55 99.13 8.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -128.6 163.22 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 50.8 mtt180 -77.53 142.29 39.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -89.92 109.48 20.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.8 m -88.66 145.84 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 51.74 41.77 29.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.056 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.41 -113.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.536 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.634 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 5.6 pm0 -97.12 -176.05 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -67.33 -63.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.591 ' CZ ' ' SG ' ' A' ' 128' ' ' CYS . 35.2 m-85 -129.96 171.45 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -157.69 125.12 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.869 HD23 HD23 ' A' ' 77' ' ' LEU . 1.7 mm? -93.61 132.59 37.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -115.25 125.9 53.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.693 ' HE2' HD21 ' A' ' 110' ' ' LEU . 5.3 m-85 -107.87 90.46 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -73.73 111.83 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.0 t -130.74 107.02 15.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.584 0.706 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' A' ' 67' ' ' LYS . 53.8 Cg_endo -69.76 170.76 56.9 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.347 -0.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.5 Cg_endo -69.76 10.07 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 65' ' ' PRO . 12.9 ttmt -108.48 -25.05 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.55 144.2 8.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -31.49 71.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -118.2 150.94 48.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 140.68 43.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.226 . . . . 0.0 112.344 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 47.3 tttt -84.57 -45.15 12.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 73' ' ' VAL . 61.7 t -124.88 67.01 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.2 t -77.66 113.53 15.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.703 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 74.3 mt -115.57 133.84 22.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.607 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.79 142.56 48.15 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.869 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -65.63 -24.84 67.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 p -71.17 -34.06 70.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.607 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.55 -35.54 76.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.479 HD13 HG12 ' A' ' 102' ' ' VAL . 49.7 mm -57.59 130.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 pt -120.67 -33.5 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -149.69 120.34 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 83' ' ' VAL . 2.4 p -116.5 101.97 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -96.21 155.65 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.446 ' C ' ' HE3' ' A' ' 87' ' ' MET . 38.1 p -116.32 32.77 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.6 p -131.65 119.52 21.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.59 ' CE ' HG23 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -108.25 156.59 38.2 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.832 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -174.48 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.5 81.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -134.99 -60.32 0.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.483 ' CG ' ' H ' ' A' ' 93' ' ' GLU . 2.0 ptp -87.49 165.07 32.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 91' ' ' MET . 54.0 Cg_endo -69.79 20.35 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.655 2.237 . . . . 0.0 112.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' H ' ' CG ' ' A' ' 91' ' ' MET . 8.9 tt0 70.14 54.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -83.49 134.11 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -82.55 29.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.84 55.13 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.403 ' O ' ' HD2' ' A' ' 118' ' ' LYS . 17.9 p -145.88 168.23 21.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 19.9 p90 -170.35 130.15 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.782 HG22 HG12 ' A' ' 109' ' ' ILE . 12.1 t -93.68 139.91 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -113.1 110.57 20.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.36 101.07 12.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.479 HG12 HD13 ' A' ' 80' ' ' ILE . 3.7 m -75.56 176.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -73.44 -38.05 65.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.44 -25.83 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 102.43 61.3 0.73 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.65 126.24 16.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -98.05 127.08 43.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.703 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 60.8 m-85 -115.86 100.13 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.782 HG12 HG22 ' A' ' 99' ' ' VAL . 63.1 mt -81.13 112.97 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.693 HD21 ' HE2' ' A' ' 62' ' ' PHE . 10.3 mp -111.83 145.28 39.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.594 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 32.8 tt0 -119.33 114.77 22.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.675 HG21 ' HA ' ' A' ' 118' ' ' LYS . 43.7 p -83.34 -176.28 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.33 -60.43 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -133.26 172.19 13.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.5 p -61.28 -26.13 67.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.18 -31.51 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -80.94 -35.0 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.675 ' HA ' HG21 ' A' ' 112' ' ' THR . 14.1 ttpt -62.11 -64.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -42.12 -43.44 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 4.8 t -54.6 -51.75 64.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -56.84 -53.77 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.4 t -50.17 -37.11 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.14 -47.9 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.645 ' HB3' HD13 ' A' ' 49' ' ' LEU . 2.9 m-20 -57.0 -36.85 70.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.693 HG23 HD21 ' A' ' 77' ' ' LEU . 45.7 mt -79.18 -58.82 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.474 ' HA ' HG12 ' A' ' 129' ' ' VAL . 20.0 mt-30 -55.16 -33.72 63.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.86 -25.8 75.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.591 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 49.5 m -89.42 -51.93 5.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 126' ' ' GLN . 12.7 p -49.78 -40.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 131' ' ' SER . 6.8 m-20 -174.79 132.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.2 t -31.17 101.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -127.79 -120.2 2.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 134' ' ' SER . 54.3 Cg_endo -69.75 2.83 3.18 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.692 2.262 . . . . 0.0 112.399 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 133' ' ' PRO . 93.3 p -33.62 129.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 134' ' ' SER . 1.9 m -37.49 -46.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.823 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -164.8 168.51 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 t -54.77 163.89 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.72 -141.67 4.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -90.82 168.34 11.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.7 m -89.51 -50.26 6.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.56 145.98 10.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -161.01 166.15 28.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mt -113.31 102.53 10.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.72 -49.85 69.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.94 41.3 17.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -155.53 157.95 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.0 t -113.63 90.36 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -127.0 83.07 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.12 144.64 29.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -174.47 137.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.69 -56.89 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.9 mt -69.73 128.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -91.59 -54.59 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.535 ' HD2' ' CE2' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -155.56 150.71 26.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 12.0 tm-20 -153.21 142.8 21.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.05 162.7 35.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HB2' ' HE ' ' A' ' 46' ' ' ARG . . . -105.94 99.5 9.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.575 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -134.24 173.92 11.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.06 142.78 26.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -130.36 157.51 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.584 ' HE2' ' HG3' ' A' ' 41' ' ' GLN . 9.2 ptp -152.0 162.89 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.4 t -122.81 126.71 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.84 104.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -170.37 165.91 8.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -99.88 169.82 8.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -155.36 173.45 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.05 -63.14 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -86.21 -54.5 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.19 -158.44 23.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -177.76 2.03 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.619 2.213 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.9 -123.47 1.04 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.86 -74.35 0.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.3 m -83.0 152.65 25.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.337 . . . . 0.0 111.145 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.78 145.51 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.584 ' HG3' ' HE2' ' A' ' 27' ' ' MET . 15.9 pt20 -42.17 -36.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.7 m95 -34.16 134.36 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -119.47 121.15 38.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' HG13 ' A' ' 64' ' ' VAL . 30.2 mtmt -55.55 131.04 45.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.593 ' CB ' HG22 ' A' ' 64' ' ' VAL . 16.7 p -157.15 170.18 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.455 ' HE ' ' HB2' ' A' ' 23' ' ' ALA . 27.6 ttm180 -122.61 116.79 24.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.704 HD11 HD13 ' A' ' 60' ' ' LEU . 36.5 tp -84.72 126.23 33.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.0 tp -129.96 121.74 27.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' HG ' HD21 ' A' ' 60' ' ' LEU . 2.8 tt -107.35 102.49 11.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -121.72 150.61 41.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.549 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 1.5 ptm85 -71.06 148.53 47.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' CB ' ' HB3' ' A' ' 56' ' ' GLU . . . -88.34 165.66 14.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 54' ' ' ALA . 32.8 m -78.41 163.75 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -33.04 110.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.68 -58.28 0.64 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 4.2 tp10 -104.67 159.19 15.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -73.01 -73.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 27.8 m-85 -136.42 175.98 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -151.39 124.5 8.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.704 HD13 HD11 ' A' ' 47' ' ' LEU . 1.1 mt -84.24 159.07 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -143.5 110.44 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.6 m-85 -101.93 88.35 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -71.67 116.59 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.593 HG22 ' CB ' ' A' ' 45' ' ' CYS . 2.3 t -134.97 109.79 10.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 169.98 60.67 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.293 -0.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.8 4.6 2.12 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -99.43 -23.06 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.43 147.61 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -73.68 -34.64 64.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -108.54 148.84 38.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.413 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 54.0 Cg_endo -69.76 136.54 33.26 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.425 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 25.9 tttp -80.19 -39.39 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 73' ' ' VAL . 47.2 t -127.65 59.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 38.4 p -67.94 103.13 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.769 HG21 HG11 ' A' ' 102' ' ' VAL . 42.2 mt -108.11 132.83 20.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.6 Cg_endo -69.77 143.06 49.59 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.608 HD21 HG23 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -60.68 -35.17 75.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.5 p -56.28 -30.8 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -63.22 -41.21 99.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.9 mm -57.73 127.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.87 -31.4 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -152.84 143.23 22.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.508 HG11 ' CG ' ' A' ' 126' ' ' GLN . 2.4 p -128.77 116.1 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -89.88 111.01 21.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.698 HG22 HG21 ' A' ' 122' ' ' VAL . 25.7 p -86.86 37.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -152.07 132.96 14.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.543 ' CE ' HG23 ' A' ' 99' ' ' VAL . 20.9 mmt -106.01 152.91 40.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -162.91 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.386 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -68.09 70.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -124.72 -66.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -86.11 140.47 34.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.552 0.691 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -54.03 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 95' ' ' ASP . 5.0 mm-40 -134.98 -42.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 93' ' ' GLU . 5.6 mptt -30.68 92.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 93' ' ' GLU . 2.0 m-20 -90.86 32.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.48 ' HB3' ' C ' ' A' ' 114' ' ' ASP . 0.4 OUTLIER -111.74 59.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.2 p -147.66 140.82 25.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.9 p90 -144.49 142.89 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.77 HG22 HG12 ' A' ' 109' ' ' ILE . 83.9 t -100.93 137.64 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 mt -113.02 101.7 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -89.75 96.92 10.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.769 HG11 HG21 ' A' ' 75' ' ' ILE . 6.0 m -75.86 172.48 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.8 pt-20 -65.11 -25.0 67.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -85.46 32.09 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.43 61.8 2.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.496 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -140.71 121.16 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.541 ' HB3' HG13 ' A' ' 99' ' ' VAL . 29.4 mt-10 -95.99 136.44 36.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 40.7 m-85 -125.33 98.72 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.77 HG12 HG22 ' A' ' 99' ' ' VAL . 70.6 mt -78.83 114.84 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.8 mp -109.96 137.58 47.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.573 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 61.2 tt0 -110.85 104.54 13.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.575 HG22 HD13 ' A' ' 24' ' ' LEU . 70.7 p -82.64 -173.52 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.403 ' HB ' ' HG3' ' A' ' 117' ' ' GLN . 64.7 mt -62.74 -69.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.48 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 3.8 t70 -130.69 -177.58 4.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 95.8 p -57.95 -33.55 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -63.17 -57.24 11.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.403 ' HG3' ' HB ' ' A' ' 113' ' ' ILE . 8.3 mm100 -52.12 -46.29 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -58.49 -64.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -44.38 -41.77 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 t -61.29 -49.21 77.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 47' ' ' LEU . 26.6 m95 -52.0 -60.86 2.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.698 HG21 HG22 ' A' ' 85' ' ' THR . 97.8 t -42.67 -39.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.75 -49.97 66.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.36 -43.25 83.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.608 HG23 HD21 ' A' ' 77' ' ' LEU . 75.4 mt -67.96 -68.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.651 ' O ' HG12 ' A' ' 129' ' ' VAL . 10.2 mm100 -49.49 -50.02 43.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -47.8 -20.51 1.22 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 58' ' ' PHE . 54.8 m -98.29 -41.42 7.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 126' ' ' GLN . 1.6 p -38.9 -31.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 131' ' ' SER . 16.8 m-20 -169.42 -175.0 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 130' ' ' ASP . 38.6 p -34.65 98.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -118.02 -94.87 1.72 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 151.8 69.09 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.731 2.288 . . . . 0.0 112.339 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 86.3 p -114.99 -19.94 10.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.9 t -68.2 123.39 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.813 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' GLY . 32.6 p 35.26 42.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 t -97.15 -56.74 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.53 132.71 13.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -116.5 42.17 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m 46.35 42.12 10.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.72 -143.44 3.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 58.19 42.0 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 tp -87.25 112.9 22.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.99 142.13 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.59 135.25 38.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -95.23 86.38 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 p -149.56 141.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.96 109.99 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.7 mt -110.37 154.06 24.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 16' ' ' VAL . 12.1 p -43.77 123.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.14 -58.41 4.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.89 129.33 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.6 ' CG ' HD22 ' A' ' 49' ' ' LEU . 95.5 mm-40 -79.17 -58.4 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -148.66 150.16 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -149.77 124.15 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.69 177.78 32.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.45 105.82 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.825 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -134.96 173.55 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 mtm-85 -95.34 138.19 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -127.73 160.79 30.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.619 ' HE2' ' HB3' ' A' ' 41' ' ' GLN . 6.5 ptp -158.27 157.96 33.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 108' ' ' TYR . 99.4 t -119.1 134.03 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.18 101.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -159.09 166.34 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.53 161.18 14.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -126.22 -49.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 68.28 43.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 m -109.97 -60.58 1.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.9 -164.08 33.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.4 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.52 108.7 0.28 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.78 -72.53 0.54 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.4 p -50.87 159.18 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 111.119 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -82.05 129.84 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.619 ' HB3' ' HE2' ' A' ' 27' ' ' MET . 7.9 tm0? -34.33 -43.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' GLN . 97.9 m95 -33.11 136.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -126.72 125.4 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -57.66 131.33 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.472 ' CB ' HG22 ' A' ' 64' ' ' VAL . 21.9 p -155.17 169.53 23.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 12.2 ttp180 -119.47 115.71 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 11.0 tp -84.42 119.48 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 tp -121.73 121.58 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' A' ' 124' ' ' ASP . 4.1 tt -113.3 98.75 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -116.42 156.92 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 24.4 ptt180 -81.0 141.86 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -93.19 157.0 16.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.53 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 34.6 m -128.62 140.4 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 53' ' ' VAL . . . 73.09 42.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' GLU . . . 146.84 -126.05 2.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -35.55 153.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 110.87 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -78.95 -43.97 23.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 26.3 m-85 -145.26 164.49 31.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -136.52 130.81 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.428 HD23 HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -101.63 132.47 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -122.85 137.2 55.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.5 m-85 -120.22 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -71.44 116.1 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.5 t -134.54 106.41 10.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.7 Cg_endo -69.8 170.16 60.02 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.348 -0.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.74 2.71 3.27 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.0 -27.0 14.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.03 149.17 19.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.0 m -76.02 -34.02 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -107.82 140.26 21.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.06 39.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -81.61 -46.2 14.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 73' ' ' VAL . 45.4 t -118.31 62.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 t -70.4 112.01 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.598 HG21 HG11 ' A' ' 102' ' ' VAL . 55.1 mt -118.78 126.91 26.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.07 32.09 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -45.57 -38.71 6.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.1 p -54.5 -38.36 66.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.63 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.401 HD13 HG12 ' A' ' 102' ' ' VAL . 44.9 mm -58.65 134.66 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 pt -131.27 -30.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -153.05 137.66 16.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.806 HG22 HG23 ' A' ' 85' ' ' THR . 7.3 p -123.94 109.29 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -43.82 -51.44 7.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.806 HG23 HG22 ' A' ' 83' ' ' VAL . 1.6 p 50.93 30.43 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.1 m -157.62 133.0 8.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.1 mmt -107.87 139.51 20.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.721 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -172.92 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.39 61.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -122.3 -59.29 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.407 ' CG ' ' HB2' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -72.11 138.7 81.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.505 0.669 . . . . 0.0 110.902 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HG2' ' H ' ' A' ' 93' ' ' GLU . 53.5 Cg_endo -69.75 -63.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.26 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' H ' ' HG2' ' A' ' 92' ' ' PRO . 13.8 tt0 -134.99 8.98 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -73.86 64.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.98 33.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.451 ' HA ' ' CD ' ' A' ' 118' ' ' LYS . 1.2 p-10 -124.18 43.95 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.0 p -134.84 151.55 51.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 11.7 p90 -151.23 137.06 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 83' ' ' VAL . 37.4 t -93.69 140.98 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.7 mt -115.11 106.19 13.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.09 97.82 10.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.598 HG11 HG21 ' A' ' 75' ' ' ILE . 5.8 m -76.65 176.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 3.8 pt-20 -67.34 -27.28 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 56.4 t-20 -84.21 32.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.87 61.33 1.96 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.495 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -136.99 122.09 19.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.724 0.297 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 18.8 mt-10 -96.49 133.62 40.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.508 ' CD2' HG22 ' A' ' 28' ' ' VAL . 48.1 m-85 -123.49 98.47 5.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.567 HG12 HG22 ' A' ' 99' ' ' VAL . 46.3 mt -78.21 112.57 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mp -106.47 144.04 33.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.432 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 42.2 tt0 -120.5 105.4 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.825 HG22 HD13 ' A' ' 24' ' ' LEU . 81.6 p -88.13 -179.1 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.489 ' CG1' ' HG3' ' A' ' 117' ' ' GLN . 39.0 mm -49.66 -66.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 115' ' ' SER . 43.1 m-20 -157.9 174.79 14.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 114' ' ' ASP . 20.6 p -33.09 -38.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.821 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.621 ' H ' HD12 ' A' ' 116' ' ' LEU . 4.2 mp -56.39 -66.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.489 ' HG3' ' CG1' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -56.76 -46.05 81.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.451 ' CD ' ' HA ' ' A' ' 96' ' ' ASN . 5.4 tttm -53.4 -68.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -45.54 -41.76 10.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.7 t -56.5 -46.5 80.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.486 ' CZ2' ' HB3' ' A' ' 47' ' ' LEU . 53.7 m95 -63.29 -57.46 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.736 HG13 HG21 ' A' ' 85' ' ' THR . 96.7 t -36.4 -41.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.23 -49.77 32.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.601 ' HB3' HD13 ' A' ' 49' ' ' LEU . 6.6 m-20 -49.99 -40.48 44.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mt -81.12 -64.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.422 ' O ' HG12 ' A' ' 129' ' ' VAL . 10.1 mt-30 -48.48 -27.98 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.34 -29.43 56.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' VAL . 60.4 m -89.42 -48.82 7.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 128' ' ' CYS . 9.8 p -35.33 -35.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' CYS . 38.5 p30 -162.14 -175.03 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.1 t -50.76 96.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -145.12 146.32 16.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 91.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.6 m -101.17 83.04 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 60.1 p -172.43 132.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -125.96 176.9 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.819 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -151.3 136.23 17.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.94 -82.18 0.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 6' ' ' SER . 47.9 p 46.48 42.21 10.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 5' ' ' SER . 62.0 m -35.02 -44.85 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.38 160.21 18.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -91.61 -60.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 tp 68.23 41.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.62 141.37 49.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.75 -59.72 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -82.85 102.41 11.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 p -133.24 142.73 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -120.6 114.9 22.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' H ' HD23 ' A' ' 15' ' ' LEU . 1.2 pt? -100.38 174.5 6.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 p -139.04 147.09 25.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.7 -56.99 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.6 mp -62.23 107.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.739 ' HB2' HD22 ' A' ' 49' ' ' LEU . 12.0 mm-40 -75.39 -45.29 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . 5.4 tpm_? -163.04 138.15 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.781 ' OE2' HD13 ' A' ' 48' ' ' LEU . 18.8 tt0 -148.38 138.0 22.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.13 160.2 33.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.53 104.53 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' CYS . 0.1 OUTLIER -137.29 172.31 13.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -94.46 154.73 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -144.73 149.49 35.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.2 ptp -146.62 152.73 39.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.9 t -113.98 128.09 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.64 102.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -144.49 173.39 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.42 129.84 50.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.87 -176.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.62 -40.11 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 p -82.26 106.1 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.73 -157.76 46.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -44.51 2.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.335 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.01 -175.61 22.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.76 60.95 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.1 p -102.56 -44.45 5.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.54 42.83 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.37 121.33 27.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.491 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 60.1 m95 -76.65 160.02 29.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -129.61 129.82 44.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 64' ' ' VAL . 1.9 mppt? -62.14 130.41 45.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.43 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 5.0 p -155.96 175.91 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 32.2 ttp180 -130.79 114.18 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.703 HD23 ' CE3' ' A' ' 121' ' ' TRP . 12.9 tp -84.23 117.32 23.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.781 HD13 ' OE2' ' A' ' 21' ' ' GLU . 19.6 tp -124.06 115.17 20.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.739 HD22 ' HB2' ' A' ' 19' ' ' GLN . 5.1 tt -100.61 97.7 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HG3' HD11 ' A' ' 48' ' ' LEU . 12.8 mtp180 -112.39 159.91 18.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -89.77 135.98 33.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -99.06 151.41 20.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.41 153.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.19 43.41 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 161.48 -100.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 5.1 tp10 -87.7 153.54 21.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -71.78 -57.96 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.475 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 20.4 m-85 -128.51 166.51 18.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -157.97 129.91 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.846 HD23 HD23 ' A' ' 77' ' ' LEU . 1.6 mm? -94.12 145.25 24.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -129.12 141.94 51.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.708 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.6 m-85 -123.43 78.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -61.48 113.65 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 62' ' ' PHE . 1.7 t -133.16 104.94 12.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.4 Cg_endo -69.8 169.97 60.92 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.325 0.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.2 Cg_endo -69.71 0.48 5.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.377 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.71 -23.79 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.18 145.3 37.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -71.74 -31.65 66.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 14.3 mtp-105 -112.96 142.34 27.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.83 67.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' CE ' HG23 ' A' ' 73' ' ' VAL . 25.7 ttpt -90.17 -36.85 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 73' ' ' VAL . 60.4 t -128.16 59.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.0 p -66.78 100.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.514 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 65.8 mt -103.51 130.29 23.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 150.0 68.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.382 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.846 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -70.01 -7.04 37.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.441 ' HB2' ' CD ' ' A' ' 56' ' ' GLU . 5.3 t -89.23 -24.34 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.59 76.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.735 HD13 HG12 ' A' ' 102' ' ' VAL . 48.3 mm -58.11 135.99 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.22 -32.46 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -156.68 132.24 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.8 p -113.39 97.08 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -70.86 141.0 51.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.0 p -113.3 -15.72 12.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.471 ' O ' ' CE ' ' A' ' 87' ' ' MET . 13.1 t -88.97 168.4 12.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -132.69 166.4 29.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.719 . . . . 0.0 110.864 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 90' ' ' GLU . 53.8 Cg_endo -69.76 -163.15 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 89' ' ' LEU . 3.4 mm? -77.98 8.82 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.5 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 2.3 pt-20 -116.06 39.73 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.428 ' CB ' ' HB3' ' A' ' 87' ' ' MET . 1.3 tpt -154.41 136.64 9.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.514 0.673 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.419 ' HD2' ' SD ' ' A' ' 91' ' ' MET . 53.9 Cg_endo -69.77 3.06 3.0 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 64.12 54.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 146.46 24.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -89.83 41.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 112' ' ' THR . 22.6 t30 -129.09 18.32 6.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.37 161.7 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 18.4 p90 -164.92 143.29 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.481 HG13 ' HB3' ' A' ' 107' ' ' GLU . 59.9 t -101.55 132.04 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.614 HD23 HG23 ' A' ' 83' ' ' VAL . 16.4 mt -105.89 106.38 16.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -95.82 109.07 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.735 HG12 HD13 ' A' ' 80' ' ' ILE . 7.6 m -86.79 175.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.88 -19.06 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -91.42 30.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.35 58.37 3.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -136.08 122.14 20.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.481 ' HB3' HG13 ' A' ' 99' ' ' VAL . 39.0 mt-10 -95.91 141.97 28.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.514 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 47.1 m-85 -129.51 97.99 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.464 ' C ' HD12 ' A' ' 110' ' ' LEU . 48.9 mt -78.13 111.88 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mp -113.59 142.58 45.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.491 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 15.3 tt0 -120.21 136.46 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.502 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 36.5 p -109.98 175.06 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.21 -70.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -127.21 173.02 10.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.1 m -56.11 -28.67 58.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 116' ' ' LEU . 1.6 pp -62.96 -41.92 99.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -72.6 -42.1 64.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -58.29 -66.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 11.3 t60 -44.94 -33.5 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -65.21 -51.78 58.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.703 ' CE3' HD23 ' A' ' 47' ' ' LEU . 46.7 m95 -57.2 -58.07 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.4 t -44.32 -38.78 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.21 -44.99 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.417 ' CG ' ' HB2' ' A' ' 20' ' ' ARG . 9.8 m-20 -58.89 -38.46 78.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.0 mt -79.14 -54.64 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -57.57 -34.12 68.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -68.73 -24.76 75.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 85.3 m -95.19 -53.87 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.498 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 5.1 p -38.1 -36.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -134.97 -172.49 3.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.4 t -115.55 -46.65 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.86 -108.22 0.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 157.89 58.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.731 2.287 . . . . 0.0 112.366 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.2 t -147.38 140.86 25.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.9 m -99.22 91.82 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -136.28 133.93 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -169.18 165.62 10.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.48 48.81 0.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.444 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -135.3 147.06 49.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 p -154.86 156.38 36.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.49 -170.07 43.14 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -133.23 120.72 21.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -57.25 133.71 55.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -94.98 90.29 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -34.23 -49.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -107.8 176.17 5.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 p -137.5 133.93 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -127.07 41.53 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -160.65 171.97 17.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.5 t -110.26 138.77 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.44 -60.06 1.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.4 mp -52.65 114.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' HB2' HD22 ' A' ' 49' ' ' LEU . 18.6 mm100 -76.58 -45.86 28.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -164.44 157.73 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -154.12 138.91 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.97 178.22 37.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.87 105.07 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.88 173.39 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.49 146.66 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -132.96 149.09 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.447 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 8.0 ptp -145.29 164.91 29.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 108' ' ' TYR . 97.2 t -124.28 127.64 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.98 102.05 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -146.67 150.58 35.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -109.06 101.41 10.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -153.42 147.68 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.26 93.61 9.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.6 t -88.4 -55.93 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.64 -163.2 22.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 165.67 30.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.35 -151.43 19.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.59 165.1 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.466 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -60.75 -54.03 50.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' HB1' ' HD1' ' A' ' 42' ' ' TRP . . . -119.6 127.98 53.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 42' ' ' TRP . 56.4 tp60 -37.52 -36.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' GLN . 98.9 m95 -34.46 133.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -119.2 126.51 51.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.62 130.76 47.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.73 ' CB ' HG22 ' A' ' 64' ' ' VAL . 14.2 p -158.35 172.2 18.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.45 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 35.2 ttt85 -119.19 138.44 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.613 HD23 ' CE3' ' A' ' 121' ' ' TRP . 11.7 tp -107.38 112.64 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.5 tp -116.16 126.28 53.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 124' ' ' ASP . 4.0 tt -117.18 107.26 14.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -132.78 160.12 37.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 41.6 mtm180 -67.63 139.54 56.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 166.21 19.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' ALA . 34.8 m -75.92 159.26 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -35.5 112.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.08 -43.45 1.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -122.49 171.25 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.5 mmt-85 -84.69 -67.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 15.8 m-85 -135.81 178.91 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.437 ' CD ' ' OE2' ' A' ' 61' ' ' GLU . 20.3 ttm180 -158.19 122.7 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.898 HD23 HD23 ' A' ' 77' ' ' LEU . 1.6 mm? -90.22 147.71 23.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' OE2' ' CD ' ' A' ' 59' ' ' ARG . 15.3 mp0 -137.46 133.37 34.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.72 ' CE2' HD21 ' A' ' 110' ' ' LEU . 2.1 m-85 -112.47 98.56 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.92 101.68 6.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.73 HG22 ' CB ' ' A' ' 45' ' ' CYS . 3.2 t -121.94 106.35 36.7 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.597 0.713 . . . . 0.0 111.158 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.75 170.38 58.7 Favored 'Cis proline' 0 C--O 1.231 0.132 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.326 -0.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.45 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.77 4.85 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -109.55 -15.25 14.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.64 149.64 13.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -68.14 -33.65 74.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.411 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -124.65 152.47 69.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.72 . . . . 0.0 110.858 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.47 45.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -85.16 -45.11 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 73' ' ' VAL . 44.1 t -118.18 63.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.3 t -75.11 113.87 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.67 HG21 HG11 ' A' ' 102' ' ' VAL . 76.1 mt -121.36 134.68 24.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.67 0.748 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.682 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 54.2 Cg_endo -69.69 150.72 69.01 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.402 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.898 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.37 -35.29 79.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -62.5 -32.32 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.682 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.45 -42.64 96.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.067 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.7 125.23 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.09 -34.54 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -141.78 128.77 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 99' ' ' VAL . 2.8 p -124.42 111.78 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -90.75 164.13 14.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.455 ' C ' ' HE3' ' A' ' 87' ' ' MET . 82.1 p -126.91 9.14 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 p -140.45 111.01 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.514 ' CE ' HG23 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -99.64 151.15 37.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.7 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 89' ' ' LEU . 53.9 Cg_endo -69.79 -13.9 35.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.371 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.9 HD13 ' H ' ' A' ' 90' ' ' GLU . 0.5 OUTLIER -41.72 165.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.9 ' H ' HD13 ' A' ' 89' ' ' LEU . 17.0 mt-10 -72.93 9.39 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.515 ' C ' ' O ' ' A' ' 90' ' ' GLU . 11.4 tpp -28.09 135.37 0.14 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.547 0.689 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 9.57 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.389 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 75.0 54.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HB3' ' ND2' ' A' ' 96' ' ' ASN . 21.6 mmtm -93.56 -39.32 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 74.75 50.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.55 ' ND2' ' HB3' ' A' ' 94' ' ' LYS . 4.8 p30 -134.82 27.88 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 111' ' ' GLU . 61.6 p -130.7 168.5 17.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -161.57 135.28 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.627 HG22 HG12 ' A' ' 109' ' ' ILE . 88.6 t -89.47 152.26 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 106' ' ' ALA . 26.0 mt -127.71 96.64 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -89.98 100.33 13.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.67 HG11 HG21 ' A' ' 75' ' ' ILE . 3.4 m -76.98 159.51 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -48.29 -40.93 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -59.1 -28.18 66.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.68 50.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 100' ' ' LEU . . . -130.77 123.3 28.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.508 ' HB3' HG13 ' A' ' 99' ' ' VAL . 55.9 mt-10 -95.01 130.71 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.497 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 71.8 m-85 -119.79 98.87 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.627 HG12 HG22 ' A' ' 99' ' ' VAL . 73.3 mt -77.27 115.87 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.72 HD21 ' CE2' ' A' ' 62' ' ' PHE . 7.3 mp -111.77 140.21 46.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.627 ' HA ' HG22 ' A' ' 97' ' ' THR . 61.5 tt0 -111.31 112.58 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.405 HG21 ' HA ' ' A' ' 118' ' ' LYS . 42.8 p -85.53 172.29 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.7 mt -54.48 -56.97 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -146.47 170.25 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.8 p -52.04 -22.8 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.502 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 5.2 mp -72.56 -52.25 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -61.8 -32.87 73.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.405 ' HA ' HG21 ' A' ' 112' ' ' THR . 12.2 ttpt -59.73 -65.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -46.01 -41.73 12.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.445 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 1.6 m -56.29 -52.83 63.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.865 ' O ' HD12 ' A' ' 125' ' ' ILE . 38.6 m95 -58.96 -62.85 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.5 t -37.69 -38.52 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.53 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.82 ' HB3' HD13 ' A' ' 49' ' ' LEU . 40.0 m-20 -60.24 -38.46 83.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.865 HD12 ' O ' ' A' ' 121' ' ' TRP . 4.3 mp -80.46 -53.27 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -58.28 -37.38 74.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.4 -23.79 71.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' ASP . 78.7 m -94.93 -57.74 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.457 ' O ' ' CG ' ' A' ' 130' ' ' ASP . 5.7 p -34.88 -33.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.485 ' O ' ' C ' ' A' ' 131' ' ' SER . 7.0 m-20 -171.3 131.63 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.1 t -31.46 98.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 130' ' ' ASP . . . -124.57 172.63 16.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 86.22 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 t -174.28 112.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.3 t -146.16 155.78 42.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -135.32 135.68 40.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 t -77.92 -48.59 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.71 106.35 0.29 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -111.48 -44.91 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -52.62 -46.33 67.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.16 165.01 7.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 m120 57.63 44.86 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.88 71.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.87 110.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.97 137.27 54.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.19 42.75 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.6 t -87.94 111.09 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -102.28 101.13 11.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -150.04 170.32 19.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 16' ' ' VAL . 12.1 p -67.34 129.63 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -44.52 -60.2 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 18' ' ' ILE . 3.8 mp -60.9 103.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.601 ' HG2' ' CE1' ' A' ' 58' ' ' PHE . 13.8 mm100 -71.63 -40.11 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.76 147.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -152.55 145.41 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.96 168.46 39.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.13 102.11 11.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.599 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -137.11 173.33 11.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -95.12 149.75 20.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -137.89 159.7 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.416 ' CE ' ' HB1' ' A' ' 40' ' ' ALA . 4.8 ptp -156.02 162.45 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.94 127.04 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.14 103.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -154.12 168.38 26.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.82 143.99 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.66 169.2 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.95 83.46 6.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -119.41 81.9 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.79 -157.59 52.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.29 6.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.84 -160.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.47 40.51 0.57 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 t -151.56 177.72 10.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.741 0.305 . . . . 0.0 111.174 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.416 ' HB1' ' CE ' ' A' ' 27' ' ' MET . . . -98.01 93.94 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -99.97 123.8 44.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 72.6 m95 -78.04 146.08 35.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -123.39 129.31 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -59.16 130.52 47.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' LEU . 14.8 p -153.89 174.73 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.2 ttt180 -126.59 113.7 17.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD11 HD12 ' A' ' 60' ' ' LEU . 14.4 tp -83.5 115.31 22.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.759 HD11 ' HD3' ' A' ' 50' ' ' ARG . 15.7 tp -123.64 125.71 45.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.777 HD13 ' OD2' ' A' ' 124' ' ' ASP . 4.3 tt -109.49 103.94 12.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.759 ' HD3' HD11 ' A' ' 48' ' ' LEU . 5.6 mmm180 -116.9 151.21 37.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.585 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 26.8 ptt180 -65.91 153.17 42.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.37 166.38 11.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' ALA . 32.1 m -81.74 162.16 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -34.28 108.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.78 -40.46 1.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -127.35 169.23 13.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -80.35 -74.7 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.601 ' CE1' ' HG2' ' A' ' 19' ' ' GLN . 12.2 m-85 -129.67 -173.3 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -158.02 131.25 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD12 HD11 ' A' ' 47' ' ' LEU . 2.3 mm? -95.7 143.78 26.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.93 132.4 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 1.9 m-85 -114.69 91.15 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -75.48 107.76 7.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.2 t -128.7 105.72 18.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.78 170.13 60.06 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.328 -0.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.2 Cg_endo -69.71 -0.92 7.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.742 2.295 . . . . 0.0 112.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.43 -24.66 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.16 139.63 56.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -68.71 -32.15 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -107.66 143.12 26.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.455 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 53.9 Cg_endo -69.75 136.87 34.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 33.9 tttm -76.9 -40.82 46.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 73' ' ' VAL . 88.0 t -127.4 61.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 36.5 p -65.61 109.91 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.44 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 82.6 mt -117.22 127.53 26.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.49 67.2 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.591 HD11 ' SG ' ' A' ' 128' ' ' CYS . 0.2 OUTLIER -56.68 -42.8 79.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 m -51.28 -31.25 20.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -60.18 -48.56 81.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.0 mm -58.63 134.08 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 pt -131.63 -31.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -144.72 120.01 10.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 83' ' ' VAL . 2.4 p -116.66 106.24 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -95.16 153.7 17.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.2 p -121.31 28.46 7.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.0 p -130.28 147.66 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.662 ' CE ' HG23 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -134.09 155.13 80.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -169.51 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 89' ' ' LEU . 4.0 mm? -67.69 78.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -132.52 -43.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.96 154.74 44.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -87.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.752 2.301 . . . . 0.0 112.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -134.25 55.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -95.39 91.34 6.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -83.18 31.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.461 ' HB3' ' N ' ' A' ' 115' ' ' SER . 4.2 p-10 -128.28 45.86 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 p -138.59 156.83 47.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 7.6 p90 -162.8 141.01 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.662 HG23 ' CE ' ' A' ' 87' ' ' MET . 93.9 t -97.27 146.38 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.6 mt -120.55 99.77 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -90.3 99.56 12.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 102' ' ' VAL . 5.6 m -74.04 -179.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 79' ' ' ALA . 3.0 pt-20 -77.25 -18.07 57.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -82.58 -11.17 58.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.3 44.72 5.22 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.13 126.18 43.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.095 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.415 ' HB3' HG13 ' A' ' 99' ' ' VAL . 34.8 mt-10 -98.65 124.86 43.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.44 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 57.5 m-85 -113.73 104.79 12.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.567 HG12 HG22 ' A' ' 99' ' ' VAL . 55.5 mt -85.29 110.18 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.0 mp -105.75 144.15 32.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 55.0 tt0 -118.56 103.08 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.599 HG22 HD13 ' A' ' 24' ' ' LEU . 36.0 p -78.69 163.19 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 97.5 mt -42.54 -64.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.435 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 5.8 m-20 -139.13 167.57 21.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.461 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 18.9 p -48.82 -37.53 19.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.86 -40.26 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -74.58 -41.34 60.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.46 ' HZ1' ' CG ' ' A' ' 119' ' ' HIS . 5.9 ttpp -53.07 -69.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.46 ' CG ' ' HZ1' ' A' ' 118' ' ' LYS . 24.8 m-70 -42.35 -42.71 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -55.42 -44.35 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -66.12 -54.77 21.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 72.8 t -41.83 -42.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.19 -40.82 74.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.777 ' OD2' HD13 ' A' ' 49' ' ' LEU . 1.7 t70 -60.55 -30.95 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.3 mt -94.99 -34.17 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.422 ' HA ' HG12 ' A' ' 129' ' ' VAL . 12.5 mt-30 -73.36 -27.27 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 131' ' ' SER . . . -74.74 -28.14 63.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.591 ' SG ' HD11 ' A' ' 77' ' ' LEU . 21.3 p -93.16 -50.04 5.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.371 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 130' ' ' ASP . 10.5 p -37.5 -45.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.494 ' N ' HG13 ' A' ' 129' ' ' VAL . 49.2 t0 -92.06 -61.21 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 127' ' ' GLY . 1.8 m -169.31 106.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 131' ' ' SER . . . -35.67 123.47 0.67 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.05 15.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.308 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 60.3 p -77.53 174.17 11.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.9 t -137.64 147.46 44.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -150.72 165.4 33.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 p -93.56 150.21 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.41 102.77 0.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -83.34 47.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -43.14 -41.54 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.1 112.08 0.94 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -156.98 148.89 22.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -173.59 161.9 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . 70.58 37.28 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.91 -62.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 mptt 55.66 41.2 30.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -111.4 138.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -140.84 105.04 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -157.78 143.22 17.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.6 t -52.09 124.88 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -64.95 -49.79 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.0 mt -74.06 104.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -73.95 -50.28 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.54 140.78 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -150.9 129.08 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.67 177.3 38.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.2 114.65 27.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.947 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -144.05 173.61 11.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -98.25 140.84 31.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -129.56 159.58 35.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.506 ' HE2' ' HB3' ' A' ' 41' ' ' GLN . 5.5 ptp -154.26 159.66 41.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.48 HG22 ' CD2' ' A' ' 108' ' ' TYR . 93.9 t -122.85 126.47 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.86 101.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -147.08 156.55 43.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.68 142.22 47.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.14 170.43 13.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.63 80.31 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.7 m -86.36 -57.12 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.803 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.1 -156.83 23.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 85.71 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.32 159.24 53.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.73 -81.39 0.6 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.2 p -63.26 173.28 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.37 149.28 44.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.506 ' HB3' ' HE2' ' A' ' 27' ' ' MET . 34.8 tt0 -61.25 -34.78 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' GLN . 98.8 m95 -34.58 134.68 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -124.31 126.63 46.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.506 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -57.43 130.44 46.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.583 ' HB2' HG22 ' A' ' 64' ' ' VAL . 1.8 p -158.54 171.86 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.8 ttt180 -124.99 124.36 41.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.529 HD23 ' CE3' ' A' ' 121' ' ' TRP . 13.3 tp -92.91 114.3 26.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD21 ' NE ' ' A' ' 50' ' ' ARG . 36.4 tp -113.85 119.34 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 124' ' ' ASP . 1.8 tt -108.06 99.8 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' NE ' HD21 ' A' ' 48' ' ' LEU . 59.5 mtm180 -126.85 162.81 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 8.7 mmt85 -70.44 155.68 40.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -113.1 106.64 14.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.42 147.73 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 56.5 50.71 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.67 -135.99 3.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.597 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 7.3 tp10 -63.48 166.75 6.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -64.58 -60.85 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 9.0 m-85 -126.83 173.49 9.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.451 ' CG ' ' HA ' ' A' ' 76' ' ' PRO . 1.9 ttt85 -158.39 135.57 9.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.516 HD23 ' CD2' ' A' ' 77' ' ' LEU . 1.3 mm? -100.69 141.97 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -126.98 122.85 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.565 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.4 m-85 -104.23 83.43 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -67.21 113.2 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.583 HG22 ' HB2' ' A' ' 45' ' ' CYS . 1.4 t -133.0 110.2 12.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.75 170.97 55.82 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.397 -0.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.71 6.16 1.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -108.61 -4.04 17.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.01 149.22 37.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.9 p -76.1 -31.96 58.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -112.82 141.13 24.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 138.44 37.89 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -80.48 -43.16 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 73' ' ' VAL . 46.1 t -122.22 63.6 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.3 p -68.75 101.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.433 HG13 HG12 ' A' ' 73' ' ' VAL . 75.2 mt -106.95 129.12 24.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.702 . . . . 0.0 111.158 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.579 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.77 151.41 68.98 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.516 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -65.56 -23.7 66.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.437 ' HB2' ' CD ' ' A' ' 56' ' ' GLU . 30.6 t -73.95 -32.61 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.579 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.04 -42.21 93.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.56 HD13 HG12 ' A' ' 102' ' ' VAL . 38.0 mm -59.75 108.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.37 -28.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -156.3 152.39 27.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 83' ' ' VAL . 9.7 p -123.22 96.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -77.31 98.79 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.8 p -82.8 25.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 m -129.38 152.58 48.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.516 ' N ' ' SD ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -147.63 161.05 36.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.542 0.687 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 87' ' ' MET . 53.9 Cg_endo -69.78 -162.97 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.76 57.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -135.0 28.88 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.505 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 5.7 ttm -147.82 142.41 16.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.505 ' HD2' ' CG ' ' A' ' 91' ' ' MET . 53.9 Cg_endo -69.76 -57.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' C ' ' CG ' ' A' ' 94' ' ' LYS . 67.4 mm-40 -134.57 -31.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 91' ' ' MET . 2.0 mttp 67.7 37.39 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -34.82 79.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 112' ' ' THR . 0.3 OUTLIER -134.94 66.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.428 HG21 ' SD ' ' A' ' 91' ' ' MET . 1.5 p -143.12 152.42 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.5 p90 -167.59 146.58 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 17.3 t -100.96 144.22 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.473 HD23 HG23 ' A' ' 83' ' ' VAL . 23.6 mt -118.62 109.42 16.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -96.02 110.76 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.56 HG12 HD13 ' A' ' 80' ' ' ILE . 7.5 m -89.44 177.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -26.25 67.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -86.05 29.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.49 60.97 2.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -136.1 121.81 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.731 0.3 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 16.6 mt-10 -93.62 137.71 32.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.48 ' CD2' HG22 ' A' ' 28' ' ' VAL . 37.8 m-85 -127.33 95.68 4.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.439 HG12 HG22 ' A' ' 99' ' ' VAL . 17.9 mt -76.64 115.12 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.588 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.9 mp -110.85 143.6 41.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -126.27 103.66 7.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.947 HG22 HD13 ' A' ' 24' ' ' LEU . 10.2 p -81.13 175.08 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 98.0 mt -50.24 -74.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -130.26 167.19 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.8 t -49.71 -39.22 36.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.7 mt -53.12 -38.89 63.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -83.2 -38.77 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.4 OUTLIER -65.84 -62.75 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.511 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.0 t60 -42.9 -35.37 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.2 t -69.45 -43.69 72.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.529 ' CE3' HD23 ' A' ' 47' ' ' LEU . 36.9 m95 -54.78 -62.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.648 HG13 HE21 ' A' ' 126' ' ' GLN . 92.9 t -42.29 -37.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.3 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.548 ' HB3' HD13 ' A' ' 49' ' ' LEU . 2.8 m-20 -60.24 -45.37 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mt -70.08 -63.83 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.648 HE21 HG13 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -52.9 -36.35 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.48 ' HA2' ' CB ' ' A' ' 131' ' ' SER . . . -75.51 -13.72 82.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.484 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 33.5 m -99.58 -22.07 15.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 130' ' ' ASP . 12.2 p -89.9 -48.81 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.59 ' N ' HG13 ' A' ' 129' ' ' VAL . 8.0 t70 -131.13 61.87 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.48 ' CB ' ' HA2' ' A' ' 127' ' ' GLY . 0.3 OUTLIER -178.03 138.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 145.47 94.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.525 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 2.74 3.22 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.389 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.1 m -76.11 52.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.0 m -128.11 142.11 51.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 m -155.25 167.36 30.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m -130.26 157.34 42.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.31 167.34 10.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 m -152.28 173.23 15.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -136.38 164.95 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.3 44.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -45.8 -54.35 8.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -172.43 128.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' N ' HD13 ' A' ' 9' ' ' LEU . . . -128.78 78.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.83 129.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 108.13 20.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG13 ' HG ' ' A' ' 15' ' ' LEU . 14.5 p -138.44 149.53 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.167 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -57.88 104.16 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' HG ' HG13 ' A' ' 13' ' ' VAL . 26.0 mt -124.63 164.03 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.9 149.21 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -40.78 -56.55 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.8 mt -60.39 111.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -64.32 -51.9 61.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -172.32 152.61 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' CD ' HD13 ' A' ' 48' ' ' LEU . 64.4 tt0 -146.36 150.55 35.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.27 176.5 42.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.36 108.99 18.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.75 172.84 12.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -94.71 131.87 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -122.93 154.59 38.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.419 ' HE3' ' CD2' ' A' ' 42' ' ' TRP . 8.1 ptp -152.73 163.52 39.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' A' ' 108' ' ' TYR . 98.2 t -126.0 122.65 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.09 102.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.04 149.43 30.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.61 103.03 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.43 157.24 45.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.51 86.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.5 p -111.31 -57.67 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.52 -169.72 42.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 178.78 4.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.41 -129.96 3.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.41 -51.86 0.8 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.1 p -107.03 176.95 5.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.364 . . . . 0.0 111.1 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.7 148.53 49.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' TRP . 10.4 mt-30 -72.19 -30.79 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 98.2 m95 -36.69 141.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -134.31 133.24 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -61.75 127.6 32.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.422 ' SG ' ' CD1' ' A' ' 26' ' ' PHE . 31.0 p -158.78 176.45 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -126.17 131.78 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.662 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 12.9 tp -101.74 114.52 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD13 ' CD ' ' A' ' 21' ' ' GLU . 32.2 tp -117.35 119.39 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 124' ' ' ASP . 4.4 tt -104.75 116.47 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.421 ' C ' ' CD2' ' A' ' 58' ' ' PHE . 23.9 ptt85 -140.1 147.29 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 10.3 ptt180 -68.02 146.25 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -98.45 127.62 44.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -102.92 137.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 56.06 44.96 24.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.88 -78.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.661 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 15.7 pt-20 -136.56 178.34 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -63.09 -61.39 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.499 ' CD2' ' CD2' ' A' ' 49' ' ' LEU . 7.9 m-85 -138.27 179.49 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -157.96 126.12 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 77' ' ' LEU . 1.8 mm? -93.94 122.99 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' OE1' HD23 ' A' ' 48' ' ' LEU . 16.5 mt-10 -104.46 134.33 47.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.497 ' CE2' HD21 ' A' ' 110' ' ' LEU . 19.6 m-85 -116.08 99.61 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 76.4 m-85 -82.1 114.51 20.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.532 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 1.4 t -136.61 104.41 9.19 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.724 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.0 Cg_endo -69.8 172.6 48.37 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 -1.811 . . . . 0.0 112.324 -0.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 65' ' ' PRO . 53.9 Cg_endo -69.76 -28.76 24.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.689 2.259 . . . . 0.0 112.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -87.75 -1.0 57.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.88 -13.77 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 1.6 m 64.01 25.06 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' C ' ' CD2' ' A' ' 63' ' ' PHE . 19.4 mtm180 -169.76 137.86 1.49 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 63' ' ' PHE . 53.1 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -84.14 -41.22 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 73' ' ' VAL . 58.3 t -124.24 62.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.85 107.11 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.774 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 85.1 mt -107.55 128.3 26.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 141.43 45.32 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.49 -47.9 75.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 p -44.37 -32.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -62.13 -43.83 97.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.484 HD13 HG12 ' A' ' 102' ' ' VAL . 50.6 mm -57.78 135.22 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.3 pt -131.66 -36.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -146.14 124.04 12.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.535 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.1 p -111.58 101.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -67.6 127.94 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.6 p -114.77 44.99 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.1 t -158.67 151.9 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.03 157.14 61.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.712 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -162.67 0.09 OUTLIER 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.329 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.89 43.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -125.41 -51.01 1.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.401 ' C ' ' H ' ' A' ' 93' ' ' GLU . 2.8 tpp -61.23 136.87 94.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.51 0.672 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 9.46 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 91' ' ' MET . 22.7 tt0 66.46 54.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -86.51 -20.88 27.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.4 t70 58.97 35.77 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 118' ' ' LYS . 15.0 p-10 -132.26 34.91 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.6 p -148.51 161.27 41.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.3 p90 -162.47 145.56 11.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.707 HG22 HG12 ' A' ' 109' ' ' ILE . 61.9 t -100.81 126.49 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.11 105.1 17.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 98.92 11.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.484 HG12 HD13 ' A' ' 80' ' ' ILE . 12.6 m -76.72 174.19 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 79' ' ' ALA . 1.6 pp20? -69.41 -39.61 77.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -58.85 -26.74 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 102.3 51.05 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.22 133.41 45.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.699 0.285 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.454 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 42.8 mt-10 -101.64 128.49 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.774 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 49.9 m-85 -120.2 99.28 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.707 HG12 HG22 ' A' ' 99' ' ' VAL . 41.3 mt -80.21 105.7 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 8.6 mp -101.3 139.57 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.565 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 41.1 tt0 -118.16 105.03 11.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.6 p -75.39 -176.8 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.7 mp -57.73 -62.05 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -141.14 174.58 10.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 84.7 p -52.85 -28.19 21.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 10.6 mt -66.44 -65.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -54.09 -27.79 35.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 96' ' ' ASN . 3.2 tmtm? -63.76 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.472 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -50.55 -34.52 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -64.42 -45.19 88.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.662 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 35.1 m95 -61.03 -56.57 19.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.484 HG21 ' NZ ' ' A' ' 118' ' ' LYS . 98.0 t -43.25 -37.24 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.45 49.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.585 ' HB3' HD13 ' A' ' 49' ' ' LEU . 39.6 m-20 -52.52 -36.15 54.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 mt -85.62 -60.5 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.535 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 13.1 mm-40 -51.02 -29.5 12.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -76.68 -22.73 71.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 97.4 m -89.43 -52.46 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.7 p -38.62 -33.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.523 ' O ' ' C ' ' A' ' 131' ' ' SER . 1.1 t70 -176.19 153.63 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 130' ' ' ASP . 11.0 t -28.08 99.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.92 -77.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -174.86 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.695 2.264 . . . . 0.0 112.346 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t -43.76 110.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.6 t -50.01 163.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 t -168.71 135.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -156.35 177.3 11.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.12 -126.3 6.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 62.0 42.8 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.829 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -86.83 160.85 18.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.87 97.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -82.6 96.43 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.1 111.46 15.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.05 40.29 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.52 -58.46 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -83.51 108.12 16.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.612 HG13 HD22 ' A' ' 15' ' ' LEU . 12.3 p -112.95 141.7 27.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -80.83 88.38 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.612 HD22 HG13 ' A' ' 13' ' ' VAL . 1.4 pt? -116.26 171.4 7.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p -78.0 139.56 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.74 -49.7 76.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.29 106.51 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.98 -47.11 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . 0.5 OUTLIER -156.82 141.89 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' OE2' ' NH2' ' A' ' 46' ' ' ARG . 42.2 tt0 -153.0 130.8 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -156.52 -175.11 27.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.4 96.72 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -131.88 173.6 11.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -92.98 154.98 17.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.923 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -142.11 155.24 45.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 ptp -152.56 156.16 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.421 HG22 ' CD2' ' A' ' 108' ' ' TYR . 99.6 t -120.08 126.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 101.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -156.47 145.54 20.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -78.53 85.96 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -115.85 122.14 44.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.61 111.92 11.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.1 t -113.79 -55.74 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.29 -159.77 22.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.437 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 175.32 8.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.77 106.73 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.54 134.94 4.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.5 p -63.71 -49.48 72.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.754 0.312 . . . . 0.0 111.15 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.16 136.37 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' TRP . 11.5 mm100 -43.35 -43.5 5.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 76.1 m95 -34.01 140.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -117.13 141.42 48.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.6 ptpt -66.07 131.34 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.582 ' CB ' HG22 ' A' ' 64' ' ' VAL . 2.8 p -155.36 167.34 30.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 37.2 ttt180 -124.24 116.55 22.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 121' ' ' TRP . 13.0 tp -86.71 114.85 23.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 tp -117.88 120.7 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.1 tt -111.27 97.94 7.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -125.77 170.53 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -65.82 136.68 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.75 162.54 21.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 33.6 m -121.87 161.79 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 53' ' ' VAL . . . 74.95 48.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.76 88.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.437 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -174.38 146.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -62.57 -75.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' HB2' ' HG ' ' A' ' 77' ' ' LEU . 6.3 m-85 -136.71 177.29 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -156.69 130.33 8.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 77' ' ' LEU . 2.2 mm? -95.05 151.14 19.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -140.08 122.46 16.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.617 ' HE2' HD21 ' A' ' 110' ' ' LEU . 4.2 m-85 -106.99 101.09 10.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -82.93 101.93 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.923 HG21 ' CE1' ' A' ' 26' ' ' PHE . 4.8 t -122.05 107.8 35.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 111.082 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.08 60.25 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.385 -0.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.77 1.5 4.38 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -98.51 -24.65 15.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.74 145.93 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -66.9 -42.88 84.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -109.29 152.04 42.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 140.8 43.56 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.278 . . . . 0.0 112.328 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -82.53 -39.05 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 73' ' ' VAL . 59.7 t -125.04 62.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.0 p -70.97 109.5 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.6 HD11 ' OH ' ' A' ' 108' ' ' TYR . 86.6 mt -117.53 130.29 24.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 149.85 67.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -60.42 -37.0 79.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -54.24 -35.04 62.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.84 90.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.482 HD13 HG12 ' A' ' 102' ' ' VAL . 26.1 mm -58.04 129.25 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.96 -31.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 17.9 tt0 -153.61 120.43 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' VAL . 2.0 p -105.74 97.67 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -89.07 128.05 35.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 p -85.18 26.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.496 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 14.5 t -98.85 157.06 16.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.9 mmt -115.51 152.92 47.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.536 0.684 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.38 28.42 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.993 HD13 ' N ' ' A' ' 90' ' ' GLU . 1.9 tm? -130.42 160.83 32.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.993 ' N ' HD13 ' A' ' 89' ' ' LEU . 9.5 mm-40 -75.73 56.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.419 ' C ' ' H ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -41.32 163.66 0.1 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.435 ' C ' ' HG2' ' A' ' 93' ' ' GLU . 54.1 Cg_endo -69.79 11.93 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.435 ' HG2' ' C ' ' A' ' 92' ' ' PRO . 3.5 mm-40 74.99 24.99 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -47.97 -31.38 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 57.46 39.45 28.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -132.47 30.13 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 111' ' ' GLU . 4.5 p -141.7 161.07 38.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.7 p90 -155.53 153.2 29.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 86' ' ' THR . 21.2 t -107.06 143.72 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.1 mt -114.99 103.86 11.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' NZ ' ' HA2' ' A' ' 105' ' ' GLY . 4.0 tmtm? -91.96 104.93 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.482 HG12 HD13 ' A' ' 80' ' ' ILE . 2.7 m -81.95 -178.81 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 5.5 pt-20 -84.68 -33.42 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.479 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 2.1 m120 -68.07 -23.47 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.431 ' HA2' ' NZ ' ' A' ' 101' ' ' LYS . . . 102.11 78.86 1.35 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.438 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -163.4 121.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -94.37 125.33 38.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.6 ' OH ' HD11 ' A' ' 75' ' ' ILE . 41.0 m-85 -113.86 109.34 18.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.1 mt -92.83 109.47 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.617 HD21 ' HE2' ' A' ' 62' ' ' PHE . 7.8 mp -105.4 146.15 29.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.662 ' HA ' HG22 ' A' ' 97' ' ' THR . 53.5 tt0 -116.75 102.03 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.534 HG21 ' HA ' ' A' ' 118' ' ' LYS . 70.3 p -73.15 -177.55 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.55 -69.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.68 169.22 14.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.6 p -52.63 -21.16 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.449 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 18.3 mt -74.63 -44.14 51.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -68.33 -36.42 79.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.534 ' HA ' HG21 ' A' ' 112' ' ' THR . 6.5 ttpt -57.67 -65.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -45.95 -46.99 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.524 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 1.6 m -50.82 -45.14 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.563 ' CD2' HD23 ' A' ' 47' ' ' LEU . 45.8 m95 -64.86 -57.77 7.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.7 t -42.07 -41.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.62 -42.15 68.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.611 ' HB3' HD13 ' A' ' 49' ' ' LEU . 13.7 m-20 -61.08 -31.82 71.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.442 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 15.7 mt -90.79 -37.93 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -72.38 -28.36 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.03 -26.53 73.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.457 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 129' ' ' VAL . 2.5 p -92.69 -56.62 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 130' ' ' ASP . 14.6 p -33.58 -44.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.512 ' N ' HG13 ' A' ' 129' ' ' VAL . 1.2 p30 -175.52 131.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.4 t -32.51 -50.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 133' ' ' PRO . . . 106.96 -138.91 14.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 132' ' ' GLY . 54.2 Cg_endo -69.79 -31.7 19.87 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 37.7 p -174.98 163.51 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 83.6 p -76.94 142.1 40.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -120.3 111.91 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -164.56 146.01 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.5 79.86 0.59 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -124.01 84.12 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -171.26 174.8 4.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.52 154.85 7.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 66.12 42.14 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.486 HD13 ' N ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -87.9 122.64 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' N ' HD13 ' A' ' 9' ' ' LEU . . . -160.76 107.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.12 144.71 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -113.52 135.98 53.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -139.4 131.54 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.181 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -76.61 105.97 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -133.75 151.15 51.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.71 138.98 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -44.64 -60.68 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.8 mp -49.5 110.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -81.7 -45.78 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HG2' ' CD2' ' A' ' 121' ' ' TRP . 3.4 tpm_? -161.32 141.08 10.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -151.75 139.31 19.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' OE2' ' A' ' 21' ' ' GLU . . . -167.01 -175.88 37.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.3 97.09 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -129.03 171.31 12.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -96.45 142.15 28.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.76 162.81 26.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.418 ' HE2' ' HB2' ' A' ' 41' ' ' GLN . 7.9 ptp -156.05 166.14 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' CD2' ' A' ' 108' ' ' TYR . 82.4 t -124.71 133.7 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.25 107.3 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.9 116.09 13.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 32' ' ' ALA . 58.6 m-20 49.04 42.99 21.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' ASP . . . -34.05 119.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -170.82 169.63 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' GLY . 4.5 m 60.38 44.26 12.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 34.49 -152.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -19.77 35.5 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.321 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 38' ' ' GLY . . . 65.98 157.24 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.449 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -35.34 -82.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -73.11 165.78 24.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB1' ' HD1' ' A' ' 42' ' ' TRP . . . -90.41 106.97 18.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 42' ' ' TRP . 11.8 mm-40 -36.8 -39.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 93.2 m95 -32.66 140.41 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -127.13 128.53 46.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -56.15 122.91 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.429 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 15.0 p -150.81 172.33 15.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 34.5 ttm180 -124.42 129.43 50.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.661 HD11 HD12 ' A' ' 60' ' ' LEU . 13.1 tp -99.31 118.89 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 tp -124.18 121.04 34.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 tt -111.99 97.83 6.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -118.67 154.95 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 58' ' ' PHE . 10.1 mtp85 -66.5 139.61 57.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.76 166.3 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 54' ' ' ALA . 35.6 m -75.31 160.86 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -33.2 111.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.56 -38.91 1.12 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -137.86 167.71 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.473 ' CB ' ' SG ' ' A' ' 128' ' ' CYS . 25.1 mtp85 -78.46 -74.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CE1' ' HG2' ' A' ' 51' ' ' ARG . 30.4 m-85 -125.82 178.84 5.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -151.87 126.58 9.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.661 HD12 HD11 ' A' ' 47' ' ' LEU . 1.2 mm? -90.38 133.09 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -125.04 129.48 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.5 m-85 -111.92 101.26 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -85.34 112.46 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 65' ' ' PRO . 1.8 t -130.25 105.39 16.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.66 170.38 58.34 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.359 -0.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.7 Cg_endo -69.77 -0.86 7.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.4 -28.05 16.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.17 150.56 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.1 m -75.99 -39.23 56.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -104.59 139.9 20.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 142.83 48.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -79.16 -46.11 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.2 t -122.07 67.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.1 p -74.42 109.88 8.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.564 HG21 HG11 ' A' ' 102' ' ' VAL . 72.5 mt -118.94 131.57 24.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.669 0.747 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.05 68.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.6 HD23 HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -54.86 -42.4 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -52.73 -37.61 59.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.48 -48.54 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -57.94 133.87 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pt -129.11 -33.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -144.18 138.39 28.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 83' ' ' VAL . 6.8 p -130.27 108.81 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -81.73 105.63 13.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.472 ' O ' ' HE2' ' A' ' 87' ' ' MET . 35.1 p -74.74 -38.45 62.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.7 p -84.32 142.01 30.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.472 ' HE2' ' O ' ' A' ' 85' ' ' THR . 31.2 mmt -100.6 153.41 37.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -165.71 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 89' ' ' LEU . 2.9 mm? -76.03 51.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.96 -47.37 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.19 137.42 21.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.833 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.456 ' HG2' ' H ' ' A' ' 93' ' ' GLU . 54.3 Cg_endo -69.76 -70.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' H ' ' HG2' ' A' ' 92' ' ' PRO . 13.3 tt0 -134.99 49.1 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -96.18 81.65 3.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.25 30.51 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.483 ' HB3' ' N ' ' A' ' 115' ' ' SER . 0.6 OUTLIER -128.07 40.31 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 111' ' ' GLU . 20.6 p -141.74 162.45 35.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 9.3 p90 -161.26 138.76 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.67 HG22 HG12 ' A' ' 109' ' ' ILE . 21.6 t -94.56 138.36 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.3 mt -114.51 104.04 11.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -96.05 102.79 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.564 HG11 HG21 ' A' ' 75' ' ' ILE . 3.9 m -74.22 167.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 2.8 pt-20 -61.68 -29.74 70.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.479 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 t30 -67.68 -30.14 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.44 47.96 0.95 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.97 123.06 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 14.7 mt-10 -93.96 128.1 40.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.404 ' CD2' HG22 ' A' ' 28' ' ' VAL . 68.7 m-85 -119.2 104.94 10.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.67 HG12 HG22 ' A' ' 99' ' ' VAL . 55.4 mt -86.74 107.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.2 mp -102.03 139.1 38.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.525 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 36.0 tt0 -112.6 109.32 18.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.766 HG22 HD13 ' A' ' 24' ' ' LEU . 39.6 p -87.79 176.38 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 117' ' ' GLN . 88.1 mt -48.33 -63.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -156.02 168.93 25.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 23.1 m -38.23 -36.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.07 -62.23 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.485 ' HG3' HD12 ' A' ' 113' ' ' ILE . 18.9 mm-40 -65.58 -41.8 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.53 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 8.7 tmtt? -52.57 -61.77 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.53 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.0 t60 -48.81 -37.9 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.6 m -61.79 -59.66 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.593 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 48.2 m95 -45.53 -59.26 2.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.7 t -45.75 -31.17 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -70.96 -59.08 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.43 ' OD1' ' HA ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -52.7 -48.85 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.7 mt -60.55 -67.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' CG ' HG11 ' A' ' 83' ' ' VAL . 11.2 mt-30 -55.01 -27.78 46.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.04 -28.85 64.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.473 ' SG ' ' CB ' ' A' ' 57' ' ' ARG . 49.2 t -93.56 -62.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 128' ' ' CYS . 4.1 p -30.66 -40.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 128' ' ' CYS . 25.6 t0 -130.73 -72.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -169.28 144.95 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 147.95 83.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 147.55 63.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.303 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.7 t -75.02 157.66 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 79.7 p -68.8 135.18 50.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.341 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.8 mp -62.05 115.56 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -71.03 -46.46 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.435 HH22 ' NE2' ' A' ' 117' ' ' GLN . 17.9 ttt-85 -164.87 146.35 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.54 ' OE1' HD13 ' A' ' 48' ' ' LEU . 72.8 tt0 -146.38 135.11 22.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.71 165.63 36.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.45 108.24 19.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.695 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -136.16 172.19 13.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.57 148.28 23.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.47 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -138.56 152.31 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.479 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 4.4 ptp -153.67 150.23 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -109.21 130.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.1 104.56 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.6 m95 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -116.57 142.85 46.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.581 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -74.59 127.95 34.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB2' HG22 ' A' ' 64' ' ' VAL . 7.5 p -157.55 163.92 37.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -116.45 122.06 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.644 HD23 ' CD2' ' A' ' 121' ' ' TRP . 13.2 tp -90.36 118.89 30.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.54 HD13 ' OE1' ' A' ' 21' ' ' GLU . 18.7 tp -122.95 112.82 18.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.717 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.5 tt -100.56 107.19 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HD2' HD21 ' A' ' 48' ' ' LEU . 10.0 ptm180 -137.28 148.31 46.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 6.9 ptp180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.536 ' CD1' ' HA ' ' A' ' 51' ' ' ARG . 12.5 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -158.26 127.72 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 77' ' ' LEU . 2.6 mm? -88.95 135.38 33.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -122.46 131.08 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.724 ' O ' HG23 ' A' ' 64' ' ' VAL . 5.1 m-85 -115.27 80.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.75 105.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -128.21 108.58 19.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 111.154 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.21 64.53 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.331 -0.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.58 7.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.387 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -104.23 -4.74 22.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 150.83 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -30.56 66.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -126.5 154.65 75.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.74 43.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.736 2.291 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -83.4 -48.38 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 73' ' ' VAL . 43.8 t -116.72 59.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.2 p -70.55 104.67 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.516 HG23 ' HD2' ' A' ' 76' ' ' PRO . 60.7 mt -111.85 134.97 21.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.9 Cg_endo -69.76 149.28 66.66 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.725 2.284 . . . . 0.0 112.37 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.05 -16.09 63.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -75.61 -29.94 59.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -61.48 -41.19 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.11 125.21 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 102' ' ' VAL . 0.5 OUTLIER -119.25 -19.3 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -168.15 132.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.534 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.4 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.892 0.377 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.9 p -152.96 149.52 28.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.0 p90 -155.83 151.8 27.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 17.7 t -102.61 145.51 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.416 HD21 ' CE1' ' A' ' 98' ' ' PHE . 23.3 mt -120.96 106.67 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -93.42 115.7 28.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.51 ' O ' HD11 ' A' ' 81' ' ' ILE . 4.4 m -93.65 -177.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.9 pt-20 -78.92 -10.26 59.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.21 30.53 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 45.5 59.11 4.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.441 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -139.44 128.1 23.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.733 0.301 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 41.5 mt-10 -105.1 132.62 51.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -118.53 101.79 8.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.479 ' HB ' ' CG ' ' A' ' 27' ' ' MET . 78.2 mt -79.17 114.76 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.586 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.7 mp -110.73 157.3 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -136.54 114.77 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.695 HG22 HD13 ' A' ' 24' ' ' LEU . 82.8 p -93.52 179.65 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.1 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.22 -71.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 14.7 p-10 -137.03 175.82 9.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 p -51.44 -18.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -72.77 -48.78 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.435 ' NE2' HH22 ' A' ' 20' ' ' ARG . 4.1 mm100 -70.26 -49.5 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -46.27 -69.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -40.46 -58.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 27.4 t -40.97 -60.4 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.644 ' CD2' HD23 ' A' ' 47' ' ' LEU . 39.2 m95 -44.58 -57.92 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -45.38 -28.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -80.25 -42.02 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.717 ' HB3' HD13 ' A' ' 49' ' ' LEU . 19.8 m-20 -61.55 -36.77 81.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.462 HG23 HD21 ' A' ' 77' ' ' LEU . 25.9 mt -78.35 -56.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.57 ' HA ' HG12 ' A' ' 129' ' ' VAL . 11.6 mm100 -57.6 -36.43 71.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.51 -22.99 68.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.4 m -93.74 -53.91 3.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 126' ' ' GLN . 10.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.38 109.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.503 ' HB2' HD22 ' A' ' 49' ' ' LEU . 9.6 mm100 -78.8 -44.87 22.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -159.05 141.84 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 1.4 tm-20 -147.2 121.56 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.07 -175.35 20.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.62 92.99 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 110' ' ' LEU . 0.1 OUTLIER -124.23 173.31 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -95.68 139.01 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -125.91 164.17 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.406 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 4.7 ptp -157.72 160.02 37.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.2 t -121.48 123.78 70.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 104.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 98.5 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.704 0.288 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -116.47 125.37 51.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.571 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.2 mtpm? -58.44 133.54 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.66 ' HB2' HG22 ' A' ' 64' ' ' VAL . 18.1 p -158.57 172.85 17.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -124.34 115.07 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.527 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 11.6 tp -86.58 123.32 31.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.9 tp -128.17 119.64 25.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.6 tt -103.17 99.03 8.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -115.04 148.15 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.53 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 12.4 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.882 0.373 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -153.88 127.33 8.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.777 HD23 HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -94.58 140.23 30.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -128.47 124.54 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.797 ' O ' HG23 ' A' ' 64' ' ' VAL . 6.5 m-85 -107.26 79.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -60.92 104.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 62' ' ' PHE . 2.1 t -127.36 115.6 21.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 111.166 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.53 57.76 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.354 -0.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 3.26 2.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -109.74 0.59 18.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.76 148.23 31.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.4 m -75.03 -32.8 61.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -111.2 147.11 35.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 142.75 48.96 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 40.6 tttp -86.8 -47.71 8.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.06 66.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.0 p -75.36 100.83 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.564 HG23 ' HD2' ' A' ' 76' ' ' PRO . 78.2 mt -110.95 136.24 20.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.576 0.703 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.564 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.7 Cg_endo -69.82 150.64 68.09 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.777 HD23 HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.76 -17.82 64.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.2 p -72.74 -35.73 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -56.47 -42.78 78.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.9 mm -58.04 123.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.57 -22.93 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -162.38 142.11 9.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.979 0.418 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 p -145.14 148.86 34.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.712 ' CD1' HD21 ' A' ' 100' ' ' LEU . 11.1 p90 -151.12 152.62 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 83' ' ' VAL . 33.8 t -109.16 134.93 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.712 HD21 ' CD1' ' A' ' 98' ' ' PHE . 8.8 mt -110.92 109.67 19.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -98.08 110.94 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 102' ' ' VAL . 4.7 m -82.32 175.01 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.0 pt-20 -69.5 -30.04 67.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 10.9 m-20 -70.49 -15.59 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.21 53.88 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.1 126.28 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 17.5 mt-10 -95.64 129.49 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -116.78 97.2 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.46 ' C ' HD12 ' A' ' 110' ' ' LEU . 20.3 mt -79.86 115.86 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.706 HD21 ' HE2' ' A' ' 62' ' ' PHE . 7.8 mp -110.91 152.39 26.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.504 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 31.6 tt0 -121.29 107.66 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 24' ' ' LEU . 25.8 p -87.62 175.66 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.91 -67.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -143.18 167.59 21.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 t -41.79 -29.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.2 mp -61.65 -51.82 66.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -67.27 -47.55 70.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -46.87 -64.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -47.4 -52.01 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 124' ' ' ASP . 1.7 m -45.67 -43.64 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.527 ' CZ2' ' HB3' ' A' ' 47' ' ' LEU . 48.3 m95 -68.63 -60.18 2.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -38.71 -46.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.06 -50.4 64.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.58 ' HB3' HD13 ' A' ' 49' ' ' LEU . 28.7 m-20 -52.08 -37.06 52.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.8 mt -83.81 -63.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -46.17 -36.91 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.59 -37.83 68.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.53 ' SG ' ' CD2' ' A' ' 58' ' ' PHE . 90.4 m -76.15 -32.78 59.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' CYS . 40.3 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.773 0.32 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.5 mp -52.34 116.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -86.78 -48.24 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' CD ' ' HB3' ' A' ' 120' ' ' SER . 26.6 ttm-85 -161.41 140.71 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -148.27 126.8 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.89 -176.75 20.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.79 101.09 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.37 173.64 11.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -95.76 141.41 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.71 155.65 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.8 ptp -151.04 162.43 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.2 t -123.98 126.16 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.71 104.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.518 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.1 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.761 0.315 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -129.55 130.4 45.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.538 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.0 ptpt -60.92 129.24 40.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.531 ' CB ' HG22 ' A' ' 64' ' ' VAL . 24.2 p -158.7 169.22 24.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 37.2 ttt180 -120.05 119.1 32.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 110' ' ' LEU . 12.8 tp -89.5 116.72 27.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 tp -119.57 117.99 29.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.664 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.5 tt -101.68 98.11 8.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -114.26 158.69 21.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.511 ' CD2' ' CD2' ' A' ' 49' ' ' LEU . 5.8 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -157.95 120.52 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.636 HD23 ' CD2' ' A' ' 77' ' ' LEU . 3.2 mm? -85.15 154.25 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -138.98 121.4 16.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.551 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.5 m-85 -103.39 86.08 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.0 109.08 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 62' ' ' PHE . 2.3 t -128.0 111.57 20.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.3 Cg_endo -69.73 170.18 59.62 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.317 -0.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.8 3.6 2.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.334 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -114.88 5.75 15.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.5 166.33 23.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -84.86 -34.76 22.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -120.53 151.69 54.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 149.41 67.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.282 . . . . 0.0 112.349 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -95.49 -45.36 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.9 t -124.95 67.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 m -74.08 111.28 9.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.621 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 82.7 mt -111.93 132.7 21.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 53.7 Cg_endo -69.77 147.84 63.66 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -70.09 -23.04 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -71.31 -31.49 67.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.473 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -64.97 -37.4 87.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.412 HD13 HG12 ' A' ' 102' ' ' VAL . 47.1 mm -60.14 123.91 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 pt -118.19 -36.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -143.87 134.14 24.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 96' ' ' ASN . 2.3 p-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.918 0.389 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 111' ' ' GLU . 10.5 p -138.09 154.63 49.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.514 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.9 p90 -153.73 146.98 24.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.627 HG22 HG12 ' A' ' 109' ' ' ILE . 59.2 t -103.13 140.69 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.7 mt -109.96 105.85 15.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.6 99.83 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.412 HG12 HD13 ' A' ' 80' ' ' ILE . 8.0 m -77.36 176.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -70.42 -39.26 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -60.26 -23.33 64.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 98.57 51.75 1.39 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.8 129.43 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -100.49 124.12 45.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.621 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 53.3 m-85 -114.99 97.28 6.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.627 HG12 HG22 ' A' ' 99' ' ' VAL . 42.9 mt -77.47 116.24 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.087 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 47' ' ' LEU . 10.5 mp -111.45 140.62 45.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.518 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 39.9 tt0 -110.92 103.17 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.6 p -78.06 172.17 13.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.36 -63.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.85 167.72 20.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.9 p -45.18 -54.32 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 mt -43.07 -43.46 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -67.52 -47.49 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 118' ' ' LYS . 1.2 ttpm? -51.3 -69.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -43.15 -48.08 6.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.437 ' HB3' ' CD ' ' A' ' 20' ' ' ARG . 1.7 m -50.36 -49.85 52.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -60.09 -54.51 45.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.8 t -48.48 -37.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.3 -49.08 29.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.664 ' HB3' HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -57.07 -33.91 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 44.1 mt -82.29 -61.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.446 ' O ' HG12 ' A' ' 129' ' ' VAL . 17.1 mt-30 -54.88 -31.41 59.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.46 -24.38 76.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' VAL . 64.4 m -91.81 -51.74 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 126' ' ' GLN . 2.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.787 0.327 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.762 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.0 mp -57.78 102.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.053 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.502 ' HB2' HD22 ' A' ' 49' ' ' LEU . 6.3 mm100 -64.27 -47.89 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -161.77 147.48 13.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.18 123.76 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.35 -178.63 28.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.27 115.1 23.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.827 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -147.08 172.99 12.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -95.06 149.25 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.483 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -135.26 154.27 51.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.7 ptp -150.96 155.76 39.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -114.48 128.37 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.22 101.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 p30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 67.6 m95 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.692 0.282 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -138.36 122.36 17.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.53 ' O ' HG13 ' A' ' 64' ' ' VAL . 30.0 mtmm -56.6 131.97 50.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.531 ' CB ' HG22 ' A' ' 64' ' ' VAL . 4.1 p -158.37 174.98 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 30.1 ttm180 -126.3 119.95 28.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD23 ' CE3' ' A' ' 121' ' ' TRP . 11.5 tp -86.64 117.62 25.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.547 HD11 ' HE ' ' A' ' 50' ' ' ARG . 9.4 tp -115.3 120.27 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 19' ' ' GLN . 2.3 tt -114.06 99.99 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.547 ' HE ' HD11 ' A' ' 48' ' ' LEU . 13.1 ptp180 -136.72 157.89 45.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 14.7 mmm-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.484 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 8.7 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.886 0.375 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -158.25 125.93 5.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.68 HD23 HD23 ' A' ' 77' ' ' LEU . 1.1 mm? -94.76 133.6 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -122.86 127.63 49.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.5 m-85 -105.98 86.22 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -69.02 109.09 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.531 HG22 ' CB ' ' A' ' 45' ' ' CYS . 3.1 t -126.89 104.97 22.91 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.659 0.742 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.81 170.21 59.83 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.328 -0.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.8 1.51 4.4 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.64 2.227 . . . . 0.0 112.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -118.0 8.39 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.25 179.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.8 p -89.0 -26.55 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -143.46 155.44 60.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.22 39.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HE3' HG23 ' A' ' 73' ' ' VAL . 20.3 ttpp -80.9 -46.96 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.491 HG23 ' HE3' ' A' ' 72' ' ' LYS . 40.3 t -119.43 63.06 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.6 p -72.75 98.96 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' A' ' 76' ' ' PRO . 69.0 mt -109.56 134.96 20.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.729 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 75' ' ' ILE . 54.2 Cg_endo -69.72 150.23 68.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.68 HD23 HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.48 -15.31 62.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -80.26 -30.65 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.13 95.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.6 mm -59.65 113.46 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -99.05 -35.01 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -153.63 141.86 20.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.2 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.78 ' OD1' HG23 ' A' ' 97' ' ' THR . 2.3 p-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.78 HG23 ' OD1' ' A' ' 96' ' ' ASN . 69.4 p -140.78 179.8 6.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.8 p90 -170.06 144.05 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.542 ' O ' HG23 ' A' ' 83' ' ' VAL . 16.9 t -100.1 134.97 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 83' ' ' VAL . 26.6 mt -111.48 102.97 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.952 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.28 107.59 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.628 ' CG2' ' HB3' ' A' ' 106' ' ' ALA . 2.8 m -87.08 178.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -67.77 -25.13 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' GLY . 4.4 m120 -89.13 37.54 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 37.27 62.17 0.92 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.515 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.628 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -135.11 126.02 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.457 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 73.6 mt-10 -102.0 132.8 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -119.51 102.65 8.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.432 HG22 ' CH2' ' A' ' 42' ' ' TRP . 62.3 mt -84.72 106.02 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.7 mp -105.77 140.03 39.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.747 ' HA ' HG22 ' A' ' 97' ' ' THR . 19.7 tt0 -110.53 111.97 23.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.827 HG22 HD13 ' A' ' 24' ' ' LEU . 62.5 p -95.03 174.35 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.493 HG13 ' NE2' ' A' ' 117' ' ' GLN . 26.5 mm -42.46 -75.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -152.25 176.56 11.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.2 p -39.82 -32.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.45 -61.15 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.493 ' NE2' HG13 ' A' ' 113' ' ' ILE . 25.6 mt-30 -70.92 -39.52 72.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -53.92 -58.38 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.3 t60 -58.35 -30.09 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 p -68.87 -43.98 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.572 ' CE3' HD23 ' A' ' 47' ' ' LEU . 33.5 m95 -62.59 -58.68 6.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.4 t -45.41 -44.07 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.38 78.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.423 ' HB3' HD13 ' A' ' 49' ' ' LEU . 13.6 m-20 -59.22 -40.77 86.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 68.9 mt -74.14 -63.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -52.75 -36.05 57.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.5 -15.53 70.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 17.0 m -95.41 -54.62 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.403 ' HA ' HD12 ' A' ' 77' ' ' LEU . 4.0 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.37 113.75 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.652 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 4.0 mt-30 -81.41 -55.13 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -146.02 141.99 28.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.513 ' HG3' HD13 ' A' ' 48' ' ' LEU . 2.3 tm-20 -149.74 118.91 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.65 177.77 27.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.445 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.83 94.33 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -122.94 172.21 8.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -95.42 146.65 24.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.741 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -134.42 152.45 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 ptp -154.05 154.44 33.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 108' ' ' TYR . 89.0 t -116.08 127.8 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.65 102.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 78.1 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -126.76 123.4 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.653 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -55.12 134.84 49.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.726 ' CB ' HG22 ' A' ' 64' ' ' VAL . 10.2 p -158.83 171.39 20.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 56.9 ttp85 -123.5 113.49 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.602 HD11 HD12 ' A' ' 60' ' ' LEU . 12.6 tp -83.89 117.74 23.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD13 ' HG3' ' A' ' 21' ' ' GLU . 24.7 tp -125.57 118.69 26.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.819 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.2 tt -108.2 111.92 24.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -132.0 160.2 36.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.887 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CZ ' ' CD ' ' A' ' 19' ' ' GLN . 11.2 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -156.87 127.96 6.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.642 HD22 ' HG ' ' A' ' 49' ' ' LEU . 2.0 mm? -89.77 133.29 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -123.05 127.17 48.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.464 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 1.6 m-85 -107.54 90.08 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -76.78 108.62 9.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.741 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.4 t -129.6 113.71 17.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 54.0 Cg_endo -69.68 170.39 58.36 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.379 -0.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.75 3.01 3.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.47 11.66 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.68 165.26 25.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -92.17 9.47 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.478 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -167.26 151.18 6.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 155.48 65.92 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -106.23 -41.92 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 73' ' ' VAL . 86.0 t -126.88 63.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -74.76 114.46 13.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.557 HG21 HG11 ' A' ' 102' ' ' VAL . 61.2 mt -121.95 134.34 24.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.706 0.765 . . . . 0.0 111.068 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.1 Cg_endo -69.8 146.61 60.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.575 HD23 HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -54.16 -41.11 68.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.4 t -54.1 -37.51 64.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.72 -42.72 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.688 HD13 HG12 ' A' ' 102' ' ' VAL . 33.4 mm -65.6 129.36 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.6 -30.63 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -151.83 142.66 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.615 HG11 ' HG2' ' A' ' 126' ' ' GLN . 2.7 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.912 0.387 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.4 p -142.56 147.93 36.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 4.5 p90 -151.32 147.82 27.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 83' ' ' VAL . 41.6 t -101.65 135.97 35.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.148 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.56 104.95 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -95.48 102.45 14.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.688 HG12 HD13 ' A' ' 80' ' ' ILE . 4.5 m -79.58 178.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -24.21 63.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -86.03 30.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.06 59.88 3.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.444 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -137.58 122.2 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.457 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 19.3 mt-10 -96.52 135.08 38.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.463 ' CD2' HG22 ' A' ' 28' ' ' VAL . 70.6 m-85 -122.37 95.39 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.413 HG22 ' CH2' ' A' ' 42' ' ' TRP . 40.0 mt -76.11 111.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 8.6 mp -109.66 142.28 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 31.6 tt0 -114.18 108.47 17.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.481 HG22 HD13 ' A' ' 24' ' ' LEU . 44.8 p -83.78 -177.03 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.583 ' H ' HD12 ' A' ' 113' ' ' ILE . 5.3 mp -67.32 -58.76 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.695 ' OD2' HD13 ' A' ' 116' ' ' LEU . 43.2 p-10 -149.87 177.93 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 89.5 p -57.24 -23.49 48.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.695 HD13 ' OD2' ' A' ' 114' ' ' ASP . 5.2 mp -69.48 -39.53 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.435 ' HG3' HD13 ' A' ' 113' ' ' ILE . 38.7 mm-40 -83.4 -37.86 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.404 ' HA ' HG21 ' A' ' 112' ' ' THR . 14.8 tttp -58.56 -65.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -46.4 -42.55 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -61.01 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.56 ' CE3' HD23 ' A' ' 47' ' ' LEU . 30.7 m95 -61.63 -62.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.7 t -39.63 -33.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.97 -49.4 45.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.819 ' HB3' HD13 ' A' ' 49' ' ' LEU . 43.3 m-20 -52.86 -35.01 56.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.93 -67.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.615 ' HG2' HG11 ' A' ' 83' ' ' VAL . 10.7 mm100 -48.95 -32.3 8.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.07 -41.31 92.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 129' ' ' VAL . 41.1 t -82.62 -54.69 4.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 128' ' ' CYS . 51.5 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.7 mt -77.86 131.94 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.619 ' HB2' HD22 ' A' ' 49' ' ' LEU . 8.0 mm100 -95.54 -47.26 6.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -162.53 139.31 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.631 ' HG3' HD13 ' A' ' 48' ' ' LEU . 1.3 tm-20 -147.44 131.22 16.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.57 32.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.75 97.72 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -133.74 173.58 11.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 42' ' ' TRP . 28.0 mtm180 -93.57 154.57 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.722 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -143.25 146.82 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.0 ptp -144.26 154.96 43.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.431 HG22 ' CD2' ' A' ' 108' ' ' TYR . 97.1 t -113.83 131.12 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.42 102.87 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 43.9 m95 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.739 0.304 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -135.23 129.16 33.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -61.39 130.06 44.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.574 ' CB ' HG22 ' A' ' 64' ' ' VAL . 8.6 p -158.84 173.49 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 46.9 ttt180 -123.31 112.35 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 110' ' ' LEU . 21.3 tp -83.96 113.32 20.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.631 HD13 ' HG3' ' A' ' 21' ' ' GLU . 11.6 tp -119.4 126.43 51.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.0 tt -106.5 97.55 7.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' HG3' HD11 ' A' ' 48' ' ' LEU . 37.8 mtm180 -111.16 153.6 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 7.3 ttm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.507 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 10.3 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.887 0.375 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -157.4 131.08 8.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.508 HD23 ' CD2' ' A' ' 77' ' ' LEU . 2.2 mm? -92.46 150.96 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -134.55 131.09 37.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 1.4 m-85 -116.17 88.35 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -72.56 113.01 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.722 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -133.68 107.76 11.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 170.79 56.85 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.295 -0.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.453 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.4 Cg_endo -69.73 -0.86 7.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.84 -17.85 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.45 139.9 58.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -69.16 -33.47 73.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -108.52 143.54 27.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 143.4 50.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -83.17 -48.31 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.94 66.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.0 p -73.65 101.2 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.654 HG21 HG11 ' A' ' 102' ' ' VAL . 71.6 mt -105.55 133.19 20.3 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.649 0.738 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.465 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.1 Cg_endo -69.84 147.62 62.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.302 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -64.09 -21.1 66.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 t -73.39 -32.65 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.431 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.43 -39.27 86.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.492 HD13 HG12 ' A' ' 102' ' ' VAL . 50.3 mm -58.0 130.47 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.33 -30.1 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -157.8 140.11 14.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.484 ' HA ' ' CB ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.931 0.396 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.3 p -135.33 157.83 45.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CD1' HD21 ' A' ' 100' ' ' LEU . 23.2 p90 -160.83 145.79 14.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.537 HG22 HG12 ' A' ' 109' ' ' ILE . 97.1 t -104.9 136.03 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD21 ' CD1' ' A' ' 98' ' ' PHE . 12.4 mt -110.35 105.9 15.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -95.36 101.28 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.654 HG11 HG21 ' A' ' 75' ' ' ILE . 4.0 m -76.75 177.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.02 -22.53 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -88.25 34.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.92 61.39 1.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.532 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -139.64 122.44 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -97.55 136.42 37.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.452 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 68.3 m-85 -124.14 97.02 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.537 HG12 HG22 ' A' ' 99' ' ' VAL . 46.2 mt -77.27 116.5 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.569 HD23 HD22 ' A' ' 47' ' ' LEU . 8.0 mp -114.5 146.01 41.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 30.5 tt0 -124.02 113.05 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.565 HG22 HD13 ' A' ' 24' ' ' LEU . 37.2 p -86.06 -177.3 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.204 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.74 -65.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -134.05 174.04 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 51.9 p -60.25 -25.71 65.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.01 -39.02 79.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -80.93 -26.97 36.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.484 ' CB ' ' HA ' ' A' ' 96' ' ' ASN . 2.8 tmtt? -70.55 -62.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.483 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -41.88 -42.4 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 4.5 t -56.96 -50.18 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.449 ' CE2' HD23 ' A' ' 47' ' ' LEU . 47.3 m95 -53.37 -63.5 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.5 t -41.55 -40.42 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.68 -42.25 64.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.623 ' HB3' HD13 ' A' ' 49' ' ' LEU . 4.5 m-20 -60.32 -40.26 89.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.68 -65.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -48.2 -38.51 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.9 -40.94 95.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 129' ' ' VAL . 82.5 m -76.79 -44.85 31.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 128' ' ' CYS . 42.2 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.7 mt -64.98 138.13 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.606 ' CG ' HD22 ' A' ' 49' ' ' LEU . 10.9 mm100 -94.1 -38.11 11.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -171.83 135.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' CD ' HD13 ' A' ' 48' ' ' LEU . 63.6 tt0 -137.16 133.17 34.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.98 166.23 32.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.71 100.2 10.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -130.7 173.49 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -99.66 151.49 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.444 ' CE1' HG21 ' A' ' 64' ' ' VAL . 1.5 p90 -140.99 158.93 43.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.9 ptp -152.24 162.13 41.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 108' ' ' TYR . 87.5 t -117.78 133.2 65.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.41 104.08 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.4 ' CH2' HG22 ' A' ' 109' ' ' ILE . 97.1 m95 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.756 0.312 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -121.55 128.9 52.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -57.3 130.14 44.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' HG22 ' A' ' 64' ' ' VAL . 8.2 p -154.31 165.57 35.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 54.0 ttt180 -118.01 112.55 20.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.536 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 10.1 tp -84.25 122.5 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.502 HD13 ' CD ' ' A' ' 21' ' ' GLU . 30.9 tp -126.11 111.73 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.606 HD22 ' CG ' ' A' ' 19' ' ' GLN . 4.6 tt -95.36 97.8 10.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -100.16 159.2 15.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 1.7 ttp180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 11.8 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -150.71 132.57 15.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.444 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -107.5 134.64 50.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -120.59 149.25 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 1.4 m-85 -130.55 91.01 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -73.19 122.08 21.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.486 ' HB ' ' CD ' ' A' ' 72' ' ' LYS . 1.6 t -142.56 108.36 5.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.2 Cg_endo -69.79 170.28 59.4 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.327 0.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.79 1.11 4.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -10.16 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.76 148.26 44.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.039 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.0 t -75.9 -29.07 58.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -113.1 146.2 34.7 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.596 0.713 . . . . 0.0 110.818 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.42 35.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 56.8 tttt -82.37 -44.62 15.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 73' ' ' VAL . 95.8 t -122.09 66.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.9 p -67.69 118.25 10.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.5 mt -119.7 110.68 36.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.87 31.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 129' ' ' VAL . 0.4 OUTLIER -50.69 -28.66 9.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 t -62.57 -29.95 70.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.0 -35.1 57.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.44 138.23 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.62 -35.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.71 130.95 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 111' ' ' GLU . 21.0 p -144.86 161.18 39.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 11.5 p90 -158.75 137.39 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.706 HG22 HG12 ' A' ' 109' ' ' ILE . 60.5 t -97.3 144.95 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.2 mt -110.01 103.3 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.22 101.4 14.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 106' ' ' ALA . 1.7 m -82.87 160.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.25 -28.07 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -65.56 -29.58 70.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 110.24 10.84 21.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.827 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -99.02 135.59 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 111.136 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 3.2 mp0 -106.52 140.95 38.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.468 ' CE2' HG11 ' A' ' 73' ' ' VAL . 26.3 m-85 -126.28 107.65 10.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.706 HG12 HG22 ' A' ' 99' ' ' VAL . 31.0 mt -86.56 109.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -105.57 142.63 34.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.432 ' HA ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -112.1 145.28 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 113' ' ' ILE . 36.0 p -125.89 154.9 42.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.729 HD12 ' NE2' ' A' ' 117' ' ' GLN . 47.5 mt -33.4 -63.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.602 ' CG ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -146.25 -177.58 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.6 p -57.78 -30.92 66.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -61.73 -42.02 98.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.729 ' NE2' HD12 ' A' ' 113' ' ' ILE . 20.7 mt-30 -73.88 -42.3 60.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -55.4 -69.39 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -42.42 -42.7 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.6 m -55.57 -54.96 37.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.536 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 40.8 m95 -53.71 -61.3 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.9 t -39.96 -34.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -67.11 -57.94 5.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.567 ' HB2' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -56.62 -50.71 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.05 -64.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.498 ' HA ' HG12 ' A' ' 129' ' ' VAL . 14.0 mt-30 -53.37 -54.45 36.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -46.21 -19.26 0.38 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 86.4 m -95.11 -56.12 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 126' ' ' GLN . 4.1 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.799 0.333 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.3 mp -54.3 98.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.4 ' CG ' HD22 ' A' ' 49' ' ' LEU . 26.5 mm100 -44.74 -63.24 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -152.64 166.06 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' OE2' HD13 ' A' ' 48' ' ' LEU . 29.5 tt0 -153.93 141.47 19.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.29 164.22 35.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.535 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.89 105.17 14.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -137.22 173.46 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 25' ' ' ARG . 2.7 mpt_? -91.09 144.91 25.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.768 ' CE1' HG21 ' A' ' 64' ' ' VAL . 1.1 p90 -128.91 158.87 37.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 ptp -160.36 163.18 33.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.5 t -121.18 143.4 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.47 111.31 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CH2' HG22 ' A' ' 109' ' ' ILE . 95.5 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.756 0.312 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -123.01 134.25 54.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -59.35 127.51 32.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.522 ' HB2' HG22 ' A' ' 64' ' ' VAL . 2.6 p -157.69 167.83 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 46.3 ttt180 -117.28 120.62 38.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 60' ' ' LEU . 15.0 tp -90.21 114.53 26.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD13 ' OE2' ' A' ' 21' ' ' GLU . 15.3 tp -116.34 130.99 57.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.648 HD13 ' HB2' ' A' ' 124' ' ' ASP . 2.1 tt -117.13 104.5 11.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.521 ' C ' ' CD2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -132.38 146.04 51.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.514 ' N ' ' CE2' ' A' ' 58' ' ' PHE . 6.8 ptp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CD2' ' C ' ' A' ' 50' ' ' ARG . 13.5 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.832 0.349 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 20.5 ttp180 -158.46 123.26 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.669 HD23 HD23 ' A' ' 77' ' ' LEU . 1.9 mm? -87.22 126.12 34.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -113.64 121.53 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 4.9 m-85 -103.24 93.07 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -76.83 114.24 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.768 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.5 t -133.9 107.72 11.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 170.11 59.85 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.339 -0.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.83 2.52 3.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -99.51 -20.3 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.62 142.64 57.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -68.97 -35.18 76.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -107.08 143.91 28.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.565 0.697 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.458 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 53.9 Cg_endo -69.79 141.16 44.38 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.445 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 46.0 tttt -78.36 -45.77 21.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.44 64.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.458 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 81.7 p -72.29 105.16 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.535 HG23 ' HD2' ' A' ' 76' ' ' PRO . 67.3 mt -113.63 135.34 21.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.535 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.6 Cg_endo -69.8 144.03 52.49 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.289 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.669 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -56.98 -39.8 75.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.8 p -51.84 -35.3 44.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.26 -44.65 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 15.1 mm -57.93 127.8 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.63 -35.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -149.4 128.67 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.649 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.8 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.877 HG22 ' HA ' ' A' ' 111' ' ' GLU . 15.0 p -141.81 177.87 7.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.9 p90 -171.24 142.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 39.9 t -99.08 136.31 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 83' ' ' VAL . 27.9 mt -109.54 103.52 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.53 102.66 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 106' ' ' ALA . 3.3 m -83.82 173.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.12 -20.22 64.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -90.67 36.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 38.63 63.03 1.06 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.579 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -142.79 121.07 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.442 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 74.5 mt-10 -99.8 131.8 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -118.23 103.34 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.573 HG22 ' CH2' ' A' ' 42' ' ' TRP . 21.7 mt -83.56 112.88 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.2 mp -111.15 137.52 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.877 ' HA ' HG22 ' A' ' 97' ' ' THR . 25.6 tt0 -107.45 110.24 22.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.626 HG22 HD13 ' A' ' 24' ' ' LEU . 51.9 p -84.75 -174.92 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.98 -64.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -141.35 -175.0 4.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.2 p -57.75 -34.47 69.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.452 HD23 ' H ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -59.0 -61.92 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -57.57 -40.65 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -59.84 -69.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -42.92 -42.84 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.484 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 2.4 t -57.46 -55.87 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.419 ' HA ' ' OD1' ' A' ' 124' ' ' ASP . 44.5 m95 -49.67 -56.4 10.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.2 t -49.54 -25.77 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -77.09 -56.32 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.648 ' HB2' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -56.4 -53.49 56.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.7 mt -54.75 -63.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -51.96 -48.4 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.38 -34.24 54.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.441 ' SG ' ' CD1' ' A' ' 58' ' ' PHE . 24.5 m -74.42 -40.7 61.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.749 0.309 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.718 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.4 mp -51.48 128.21 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.505 ' CG ' HD22 ' A' ' 49' ' ' LEU . 23.0 mm100 -92.73 -57.88 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' ' 121' ' ' TRP . 5.0 tpm_? -152.37 144.36 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -146.68 120.8 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.6 170.81 33.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.85 101.05 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -129.21 173.63 10.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -98.76 141.2 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.653 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -130.44 162.89 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.463 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 10.2 ptp -154.82 164.59 38.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.6 t -122.54 125.06 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.15 102.86 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.543 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 99.2 m95 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.754 0.311 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -124.18 130.0 51.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -58.99 131.99 52.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.461 ' CB ' HG22 ' A' ' 64' ' ' VAL . 14.0 p -157.91 167.05 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 20.2 ttp180 -122.98 115.02 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.67 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 10.1 tp -84.12 123.85 30.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 tp -127.94 111.51 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.505 HD22 ' CG ' ' A' ' 19' ' ' GLN . 4.2 tt -103.58 103.62 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -120.39 171.04 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.441 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 14.9 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -139.28 129.61 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.37 138.05 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -124.54 139.33 53.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.2 m-85 -123.23 90.5 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -73.01 107.68 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -127.28 107.93 21.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.3 Cg_endo -69.84 170.8 57.07 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.301 0.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.461 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.81 13.73 0.28 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 65' ' ' PRO . 37.7 mmtt -111.18 -24.59 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.38 147.77 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -69.66 -40.17 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -109.46 151.83 42.38 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.647 0.737 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.54 30.72 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.298 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -77.75 -47.27 19.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.496 ' O ' HG12 ' A' ' 73' ' ' VAL . 46.8 t -121.3 62.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.8 p -67.44 107.36 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.54 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 59.8 mt -112.25 121.85 38.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.15 17.12 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.474 ' HA ' HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -42.82 -39.21 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.9 m -51.78 -40.13 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.27 84.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.035 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.442 HD13 HG12 ' A' ' 102' ' ' VAL . 51.1 mm -59.53 133.57 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 pt -126.74 -34.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -146.44 138.3 24.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.515 HG12 ' OE1' ' A' ' 126' ' ' GLN . 2.7 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.483 ' HB3' ' N ' ' A' ' 115' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.93 0.395 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.0 p -136.32 143.64 44.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 9.7 p90 -141.02 138.65 33.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.577 HG22 HG12 ' A' ' 109' ' ' ILE . 57.7 t -95.42 134.58 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.3 mt -106.58 104.62 14.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.43 106.46 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 106' ' ' ALA . 2.0 m -83.58 172.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.202 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.72 -42.01 35.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -33.86 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 113.91 76.12 0.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.542 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.748 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -169.12 133.6 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -104.56 139.07 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.54 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 57.3 m-85 -124.29 105.37 9.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.577 HG12 HG22 ' A' ' 99' ' ' VAL . 71.8 mt -86.15 109.74 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -107.32 139.19 42.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.543 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 20.2 tt0 -113.93 121.33 43.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.505 HG22 HD13 ' A' ' 24' ' ' LEU . 39.2 p -95.69 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 89.4 mt -50.07 -60.82 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.453 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -147.35 164.66 32.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 40.3 t -46.77 -29.36 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 34.2 mt -64.0 -42.22 97.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -79.01 -24.82 43.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -70.14 -58.51 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -46.48 -39.16 10.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 3.6 t -60.65 -48.72 80.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.67 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 52.8 m95 -59.14 -56.32 23.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 41.1 t -45.19 -40.76 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.99 -51.74 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.3 -40.14 73.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.6 -59.47 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.515 ' OE1' HG12 ' A' ' 83' ' ' VAL . 7.8 mm100 -53.12 -36.13 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.89 -25.68 70.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 129' ' ' VAL . 71.0 m -83.9 -62.11 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 126' ' ' GLN . 12.3 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 50' ' ' ARG . 39.7 mm -67.34 115.7 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -81.93 -60.69 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -148.88 144.14 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -148.32 127.89 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.13 -173.42 22.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.71 98.48 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.801 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -130.93 173.84 10.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -98.09 139.96 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -124.39 160.38 28.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.4 ptp -156.98 155.9 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.42 HG22 ' CD2' ' A' ' 108' ' ' TYR . 87.8 t -115.12 134.47 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.07 106.04 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.581 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 99.6 m95 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.71 0.29 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -119.29 124.99 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -55.53 129.45 38.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.454 ' CB ' HG22 ' A' ' 64' ' ' VAL . 23.9 p -155.19 164.79 38.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 28.5 ttt180 -117.51 119.12 34.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.695 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 12.9 tp -91.55 116.44 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.3 tp -119.73 111.53 18.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.697 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.6 tt -98.69 111.94 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HB3' HD13 ' A' ' 18' ' ' ILE . 7.1 ptm180 -143.54 145.61 32.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 58' ' ' PHE . 7.2 ptm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 6.9 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.798 0.333 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 76' ' ' PRO . 19.5 ttp180 -158.42 127.85 5.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD23 ' CD2' ' A' ' 77' ' ' LEU . 1.7 mm? -93.93 140.55 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -126.45 122.66 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.652 ' CE2' HD21 ' A' ' 110' ' ' LEU . 9.9 m-85 -104.35 91.57 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -71.62 106.75 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 45' ' ' CYS . 2.5 t -126.5 109.3 23.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.76 170.42 58.56 Favored 'Cis proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.354 -0.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.468 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.3 Cg_endo -69.77 4.03 2.43 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.643 2.228 . . . . 0.0 112.359 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -119.01 10.32 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.82 -176.98 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 p -99.08 -28.33 13.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -132.0 149.73 74.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.642 0.734 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.21 37.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -81.25 -49.95 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -114.97 69.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.9 p -80.03 100.13 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.663 HG23 ' HD2' ' A' ' 76' ' ' PRO . 70.5 mt -110.54 138.73 21.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.9 Cg_endo -69.78 150.41 68.06 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.614 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -65.64 -29.83 70.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.7 t -64.76 -35.2 80.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -54.71 -41.49 70.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.418 HD13 HG12 ' A' ' 102' ' ' VAL . 45.2 mm -58.68 128.32 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.9 -30.23 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -152.11 143.28 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.557 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.0 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 96' ' ' ASN . 1.2 p-10 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.905 0.383 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.4 p -152.76 155.04 36.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 7.1 p90 -159.82 144.98 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.584 HG22 HG12 ' A' ' 109' ' ' ILE . 73.2 t -100.16 128.32 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.405 HD21 ' CD1' ' A' ' 98' ' ' PHE . 19.1 mt -99.78 104.59 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -95.47 107.62 19.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 106' ' ' ALA . 5.5 m -87.18 176.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -70.24 -21.85 62.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -88.4 32.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.8 62.73 1.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -140.71 121.74 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.416 ' HB3' HG13 ' A' ' 99' ' ' VAL . 58.7 mt-10 -96.82 140.64 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.42 ' CD2' HG22 ' A' ' 28' ' ' VAL . 61.9 m-85 -130.82 96.04 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.584 HG12 HG22 ' A' ' 99' ' ' VAL . 52.9 mt -75.97 112.4 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.652 HD21 ' CE2' ' A' ' 62' ' ' PHE . 9.4 mp -109.14 137.92 46.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.581 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 29.3 tt0 -115.27 103.33 10.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.801 HG22 HD13 ' A' ' 24' ' ' LEU . 66.5 p -81.21 178.78 8.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.04 -64.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -151.4 -175.28 5.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -55.84 -28.1 54.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.88 -41.28 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -85.46 -43.0 13.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.546 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 3.3 tmtm? -55.32 -61.03 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.494 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 13.0 t60 -50.82 -34.47 27.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -67.26 -42.37 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.695 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 55.7 m95 -63.46 -59.14 5.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.546 HG21 ' HZ2' ' A' ' 118' ' ' LYS . 77.2 t -40.7 -43.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.13 -43.32 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.697 ' HB3' HD13 ' A' ' 49' ' ' LEU . 35.9 m-20 -61.21 -33.98 74.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.472 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 6.7 mt -87.99 -36.98 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.557 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 12.9 mm-40 -73.73 -26.03 60.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.09 -34.13 52.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' A' ' 125' ' ' ILE . 2.2 p -85.19 -50.71 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.417 ' HA ' HD12 ' A' ' 77' ' ' LEU . 13.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.731 0.301 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.4 mt -53.37 103.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 24.2 mm100 -60.73 -52.05 66.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 17.0 mtt85 -163.1 167.63 22.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -153.47 143.79 22.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.18 166.19 35.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.82 98.98 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.667 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -128.45 173.0 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' CD ' ' HB3' ' A' ' 42' ' ' TRP . 48.7 mtt180 -93.84 140.99 29.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -129.69 160.99 31.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.8 ptp -154.86 166.46 33.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.4 t -126.4 128.49 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.43 101.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.4 m95 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.701 0.286 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -122.53 126.67 48.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 133.81 56.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 10.2 p -158.37 175.08 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.1 ttt180 -124.91 115.8 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.481 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 11.3 tp -88.48 115.15 25.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.3 tp -111.05 124.23 51.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.7 tt -108.55 99.13 8.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -128.6 163.22 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 50.8 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.591 ' CZ ' ' SG ' ' A' ' 128' ' ' CYS . 35.2 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.856 0.36 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -157.69 125.12 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.869 HD23 HD23 ' A' ' 77' ' ' LEU . 1.7 mm? -93.61 132.59 37.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -115.25 125.9 53.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.693 ' HE2' HD21 ' A' ' 110' ' ' LEU . 5.3 m-85 -107.87 90.46 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -73.73 111.83 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.0 t -130.74 107.02 15.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.584 0.706 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' A' ' 67' ' ' LYS . 53.8 Cg_endo -69.76 170.76 56.9 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.347 -0.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.469 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.5 Cg_endo -69.76 10.07 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 65' ' ' PRO . 12.9 ttmt -108.48 -25.05 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.55 144.2 8.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -31.49 71.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -118.2 150.94 48.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 140.68 43.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.226 . . . . 0.0 112.344 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 47.3 tttt -84.57 -45.15 12.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 73' ' ' VAL . 61.7 t -124.88 67.01 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.2 t -77.66 113.53 15.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.703 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 74.3 mt -115.57 133.84 22.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.607 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.79 142.56 48.15 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.869 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -65.63 -24.84 67.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 p -71.17 -34.06 70.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.607 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.55 -35.54 76.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.479 HD13 HG12 ' A' ' 102' ' ' VAL . 49.7 mm -57.59 130.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 pt -120.67 -33.5 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -149.69 120.34 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 83' ' ' VAL . 2.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.403 ' O ' ' HD2' ' A' ' 118' ' ' LYS . 17.9 p -145.88 168.23 21.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 19.9 p90 -170.35 130.15 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.782 HG22 HG12 ' A' ' 109' ' ' ILE . 12.1 t -93.68 139.91 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -113.1 110.57 20.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.36 101.07 12.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.479 HG12 HD13 ' A' ' 80' ' ' ILE . 3.7 m -75.56 176.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -73.44 -38.05 65.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.44 -25.83 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 102.43 61.3 0.73 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.65 126.24 16.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -98.05 127.08 43.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.703 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 60.8 m-85 -115.86 100.13 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.782 HG12 HG22 ' A' ' 99' ' ' VAL . 63.1 mt -81.13 112.97 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.693 HD21 ' HE2' ' A' ' 62' ' ' PHE . 10.3 mp -111.83 145.28 39.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.594 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 32.8 tt0 -119.33 114.77 22.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.675 HG21 ' HA ' ' A' ' 118' ' ' LYS . 43.7 p -83.34 -176.28 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.33 -60.43 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -133.26 172.19 13.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.5 p -61.28 -26.13 67.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.18 -31.51 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -80.94 -35.0 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.675 ' HA ' HG21 ' A' ' 112' ' ' THR . 14.1 ttpt -62.11 -64.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -42.12 -43.44 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 4.8 t -54.6 -51.75 64.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -56.84 -53.77 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.4 t -50.17 -37.11 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.14 -47.9 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.645 ' HB3' HD13 ' A' ' 49' ' ' LEU . 2.9 m-20 -57.0 -36.85 70.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.693 HG23 HD21 ' A' ' 77' ' ' LEU . 45.7 mt -79.18 -58.82 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.474 ' HA ' HG12 ' A' ' 129' ' ' VAL . 20.0 mt-30 -55.16 -33.72 63.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.86 -25.8 75.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.591 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 49.5 m -89.42 -51.93 5.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 126' ' ' GLN . 12.7 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.768 0.318 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.9 mt -69.73 128.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -91.59 -54.59 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.535 ' HD2' ' CE2' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -155.56 150.71 26.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 12.0 tm-20 -153.21 142.8 21.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.05 162.7 35.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HB2' ' HE ' ' A' ' 46' ' ' ARG . . . -105.94 99.5 9.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.575 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -134.24 173.92 11.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.06 142.78 26.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -130.36 157.51 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.477 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 9.2 ptp -152.0 162.89 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.4 t -122.81 126.71 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.84 104.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.7 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.703 0.287 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -119.47 121.15 38.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' HG13 ' A' ' 64' ' ' VAL . 30.2 mtmt -55.55 131.04 45.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.593 ' CB ' HG22 ' A' ' 64' ' ' VAL . 16.7 p -157.15 170.18 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.455 ' HE ' ' HB2' ' A' ' 23' ' ' ALA . 27.6 ttm180 -122.61 116.79 24.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.704 HD11 HD13 ' A' ' 60' ' ' LEU . 36.5 tp -84.72 126.23 33.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.0 tp -129.96 121.74 27.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.433 ' HG ' HD21 ' A' ' 60' ' ' LEU . 2.8 tt -107.35 102.49 11.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -121.72 150.61 41.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.549 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 1.5 ptm85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 27.8 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -151.39 124.5 8.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.704 HD13 HD11 ' A' ' 47' ' ' LEU . 1.1 mt -84.24 159.07 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -143.5 110.44 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.6 m-85 -101.93 88.35 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -71.67 116.59 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.593 HG22 ' CB ' ' A' ' 45' ' ' CYS . 2.3 t -134.97 109.79 10.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 169.98 60.67 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.293 -0.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.8 4.6 2.12 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -99.43 -23.06 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.43 147.61 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -73.68 -34.64 64.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -108.54 148.84 38.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.413 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 54.0 Cg_endo -69.76 136.54 33.26 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.425 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 25.9 tttp -80.19 -39.39 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.535 ' O ' HG12 ' A' ' 73' ' ' VAL . 47.2 t -127.65 59.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 38.4 p -67.94 103.13 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.769 HG21 HG11 ' A' ' 102' ' ' VAL . 42.2 mt -108.11 132.83 20.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.6 Cg_endo -69.77 143.06 49.59 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.608 HD21 HG23 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -60.68 -35.17 75.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.5 p -56.28 -30.8 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -63.22 -41.21 99.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.9 mm -57.73 127.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.87 -31.4 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -152.84 143.23 22.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.508 HG11 ' CG ' ' A' ' 126' ' ' GLN . 2.4 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.48 ' HB3' ' C ' ' A' ' 114' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.92 0.39 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.2 p -147.66 140.82 25.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.9 p90 -144.49 142.89 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.77 HG22 HG12 ' A' ' 109' ' ' ILE . 83.9 t -100.93 137.64 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 mt -113.02 101.7 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -89.75 96.92 10.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.769 HG11 HG21 ' A' ' 75' ' ' ILE . 6.0 m -75.86 172.48 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.8 pt-20 -65.11 -25.0 67.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -85.46 32.09 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.43 61.8 2.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.496 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -140.71 121.16 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.541 ' HB3' HG13 ' A' ' 99' ' ' VAL . 29.4 mt-10 -95.99 136.44 36.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 40.7 m-85 -125.33 98.72 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.77 HG12 HG22 ' A' ' 99' ' ' VAL . 70.6 mt -78.83 114.84 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.8 mp -109.96 137.58 47.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.573 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 61.2 tt0 -110.85 104.54 13.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.575 HG22 HD13 ' A' ' 24' ' ' LEU . 70.7 p -82.64 -173.52 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.403 ' HB ' ' HG3' ' A' ' 117' ' ' GLN . 64.7 mt -62.74 -69.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.48 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 3.8 t70 -130.69 -177.58 4.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 95.8 p -57.95 -33.55 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -63.17 -57.24 11.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.403 ' HG3' ' HB ' ' A' ' 113' ' ' ILE . 8.3 mm100 -52.12 -46.29 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -58.49 -64.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -44.38 -41.77 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 t -61.29 -49.21 77.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 47' ' ' LEU . 26.6 m95 -52.0 -60.86 2.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 97.8 t -42.67 -39.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.75 -49.97 66.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.36 -43.25 83.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.608 HG23 HD21 ' A' ' 77' ' ' LEU . 75.4 mt -67.96 -68.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.651 ' O ' HG12 ' A' ' 129' ' ' VAL . 28.8 mm-40 -49.49 -50.02 43.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -47.8 -20.51 1.22 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 58' ' ' PHE . 54.8 m -98.29 -41.42 7.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 126' ' ' GLN . 1.6 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.337 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.89 129.33 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.6 ' CG ' HD22 ' A' ' 49' ' ' LEU . 29.2 mm100 -79.17 -58.4 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -148.66 150.16 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -149.77 124.15 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.69 177.78 32.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.45 105.82 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.825 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -134.96 173.55 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 mtm-85 -95.34 138.19 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -127.73 160.79 30.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.5 ptp -158.27 157.96 33.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 108' ' ' TYR . 99.4 t -119.1 134.03 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.18 101.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.432 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.9 m95 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.721 0.296 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -126.72 125.4 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -57.66 131.33 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.472 ' CB ' HG22 ' A' ' 64' ' ' VAL . 21.9 p -155.17 169.53 23.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 12.2 ttp180 -119.47 115.71 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 11.0 tp -84.42 119.48 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 tp -121.73 121.58 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' A' ' 124' ' ' ASP . 4.1 tt -113.3 98.75 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -116.42 156.92 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 24.4 ptt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 26.3 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -136.52 130.81 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.428 HD23 HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -101.63 132.47 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -122.85 137.2 55.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 3.5 m-85 -120.22 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -71.44 116.1 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.5 t -134.54 106.41 10.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.7 Cg_endo -69.8 170.16 60.02 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.348 -0.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.74 2.71 3.27 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.0 -27.0 14.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.03 149.17 19.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.0 m -76.02 -34.02 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -107.82 140.26 21.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.06 39.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -81.61 -46.2 14.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.48 ' O ' HG12 ' A' ' 73' ' ' VAL . 45.4 t -118.31 62.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 t -70.4 112.01 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.598 HG21 HG11 ' A' ' 102' ' ' VAL . 55.1 mt -118.78 126.91 26.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.07 32.09 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -45.57 -38.71 6.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.1 p -54.5 -38.36 66.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.63 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.401 HD13 HG12 ' A' ' 102' ' ' VAL . 44.9 mm -58.65 134.66 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 pt -131.27 -30.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -153.05 137.66 16.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 99' ' ' VAL . 7.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.451 ' HA ' ' CD ' ' A' ' 118' ' ' LYS . 1.2 p-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.0 p -134.84 151.55 51.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 11.7 p90 -151.23 137.06 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 83' ' ' VAL . 37.4 t -93.69 140.98 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.7 mt -115.11 106.19 13.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.09 97.82 10.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.598 HG11 HG21 ' A' ' 75' ' ' ILE . 5.8 m -76.65 176.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 3.8 pt-20 -67.34 -27.28 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 56.4 t-20 -84.21 32.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.87 61.33 1.96 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.495 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -136.99 122.09 19.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.724 0.297 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 18.8 mt-10 -96.49 133.62 40.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.508 ' CD2' HG22 ' A' ' 28' ' ' VAL . 48.1 m-85 -123.49 98.47 5.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.567 HG12 HG22 ' A' ' 99' ' ' VAL . 46.3 mt -78.21 112.57 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mp -106.47 144.04 33.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.432 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 42.2 tt0 -120.5 105.4 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.825 HG22 HD13 ' A' ' 24' ' ' LEU . 81.6 p -88.13 -179.1 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.489 ' CG1' ' HG3' ' A' ' 117' ' ' GLN . 39.0 mm -49.66 -66.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 115' ' ' SER . 43.1 m-20 -157.9 174.79 14.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 114' ' ' ASP . 20.6 p -33.09 -38.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.821 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.621 ' H ' HD12 ' A' ' 116' ' ' LEU . 4.2 mp -56.39 -66.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.489 ' HG3' ' CG1' ' A' ' 113' ' ' ILE . 6.8 mm100 -56.76 -46.05 81.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.451 ' CD ' ' HA ' ' A' ' 96' ' ' ASN . 5.4 tttm -53.4 -68.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -45.54 -41.76 10.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.7 t -56.5 -46.5 80.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.486 ' CZ2' ' HB3' ' A' ' 47' ' ' LEU . 53.7 m95 -63.29 -57.46 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 121' ' ' TRP . 96.7 t -36.4 -41.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.23 -49.77 32.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.601 ' HB3' HD13 ' A' ' 49' ' ' LEU . 6.6 m-20 -49.99 -40.48 44.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mt -81.12 -64.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.422 ' O ' HG12 ' A' ' 129' ' ' VAL . 10.1 mt-30 -48.48 -27.98 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.34 -29.43 56.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' VAL . 60.4 m -89.42 -48.82 7.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 126' ' ' GLN . 9.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.6 mp -62.23 107.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.739 ' HB2' HD22 ' A' ' 49' ' ' LEU . 12.0 mm-40 -75.39 -45.29 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . 5.4 tpm_? -163.04 138.15 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.781 ' OE2' HD13 ' A' ' 48' ' ' LEU . 18.8 tt0 -148.38 138.0 22.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.13 160.2 33.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.53 104.53 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' CYS . 0.1 OUTLIER -137.29 172.31 13.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -94.46 154.73 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -144.73 149.49 35.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.2 ptp -146.62 152.73 39.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.9 t -113.98 128.09 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.64 102.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.491 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 60.1 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.721 0.296 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -129.61 129.82 44.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 64' ' ' VAL . 1.9 mppt? -62.14 130.41 45.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.43 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 5.0 p -155.96 175.91 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 32.2 ttp180 -130.79 114.18 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.703 HD23 ' CE3' ' A' ' 121' ' ' TRP . 12.9 tp -84.23 117.32 23.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.781 HD13 ' OE2' ' A' ' 21' ' ' GLU . 19.6 tp -124.06 115.17 20.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.739 HD22 ' HB2' ' A' ' 19' ' ' GLN . 5.1 tt -100.61 97.7 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HG3' HD11 ' A' ' 48' ' ' LEU . 12.8 mtp180 -112.39 159.91 18.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.475 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 20.4 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -157.97 129.91 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.846 HD23 HD23 ' A' ' 77' ' ' LEU . 1.6 mm? -94.12 145.25 24.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -129.12 141.94 51.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.708 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.6 m-85 -123.43 78.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -61.48 113.65 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 62' ' ' PHE . 1.7 t -133.16 104.94 12.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.4 Cg_endo -69.8 169.97 60.92 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.325 0.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.2 Cg_endo -69.71 0.48 5.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.377 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.71 -23.79 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.18 145.3 37.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -71.74 -31.65 66.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 14.3 mtp-105 -112.96 142.34 27.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.83 67.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.427 ' CE ' HG23 ' A' ' 73' ' ' VAL . 25.7 ttpt -90.17 -36.85 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.564 ' O ' HG12 ' A' ' 73' ' ' VAL . 60.4 t -128.16 59.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.0 p -66.78 100.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.514 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 65.8 mt -103.51 130.29 23.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 150.0 68.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.382 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.846 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -70.01 -7.04 37.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 t -89.23 -24.34 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.59 76.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.735 HD13 HG12 ' A' ' 102' ' ' VAL . 48.3 mm -58.11 135.99 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.22 -32.46 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -156.68 132.24 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.8 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 112' ' ' THR . 22.6 t30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.37 161.7 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 18.4 p90 -164.92 143.29 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.481 HG13 ' HB3' ' A' ' 107' ' ' GLU . 59.9 t -101.55 132.04 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.614 HD23 HG23 ' A' ' 83' ' ' VAL . 16.4 mt -105.89 106.38 16.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -95.82 109.07 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.735 HG12 HD13 ' A' ' 80' ' ' ILE . 7.6 m -86.79 175.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.88 -19.06 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -91.42 30.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.35 58.37 3.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -136.08 122.14 20.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.481 ' HB3' HG13 ' A' ' 99' ' ' VAL . 39.0 mt-10 -95.91 141.97 28.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.514 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 47.1 m-85 -129.51 97.99 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.464 ' C ' HD12 ' A' ' 110' ' ' LEU . 48.9 mt -78.13 111.88 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mp -113.59 142.58 45.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.491 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 15.3 tt0 -120.21 136.46 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.502 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 36.5 p -109.98 175.06 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.21 -70.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -127.21 173.02 10.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.1 m -56.11 -28.67 58.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 116' ' ' LEU . 1.6 pp -62.96 -41.92 99.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -72.6 -42.1 64.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -58.29 -66.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 11.3 t60 -44.94 -33.5 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -65.21 -51.78 58.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.703 ' CE3' HD23 ' A' ' 47' ' ' LEU . 46.7 m95 -57.2 -58.07 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.4 t -44.32 -38.78 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.21 -44.99 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.417 ' CG ' ' HB2' ' A' ' 20' ' ' ARG . 9.8 m-20 -58.89 -38.46 78.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.0 mt -79.14 -54.64 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -57.57 -34.12 68.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -68.73 -24.76 75.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 85.3 m -95.19 -53.87 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.498 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 5.1 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.4 mp -52.65 114.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' HB2' HD22 ' A' ' 49' ' ' LEU . 18.6 mm100 -76.58 -45.86 28.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -164.44 157.73 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -154.12 138.91 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.97 178.22 37.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.87 105.07 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.88 173.39 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.49 146.66 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -132.96 149.09 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.447 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 8.0 ptp -145.29 164.91 29.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 108' ' ' TYR . 97.2 t -124.28 127.64 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.98 102.05 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.737 0.303 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -119.2 126.51 51.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.62 130.76 47.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.73 ' CB ' HG22 ' A' ' 64' ' ' VAL . 14.2 p -158.35 172.2 18.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.45 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 35.2 ttt85 -119.19 138.44 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.613 HD23 ' CE3' ' A' ' 121' ' ' TRP . 11.7 tp -107.38 112.64 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.5 tp -116.16 126.28 53.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 124' ' ' ASP . 4.0 tt -117.18 107.26 14.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -132.78 160.12 37.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 41.6 mtm180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 15.8 m-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.437 ' CD ' ' OE2' ' A' ' 61' ' ' GLU . 20.3 ttm180 -158.19 122.7 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.898 HD23 HD23 ' A' ' 77' ' ' LEU . 1.6 mm? -90.22 147.71 23.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' OE2' ' CD ' ' A' ' 59' ' ' ARG . 15.3 mp0 -137.46 133.37 34.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.72 ' CE2' HD21 ' A' ' 110' ' ' LEU . 2.1 m-85 -112.47 98.56 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.92 101.68 6.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.73 HG22 ' CB ' ' A' ' 45' ' ' CYS . 3.2 t -121.94 106.35 36.7 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.597 0.713 . . . . 0.0 111.158 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.75 170.38 58.7 Favored 'Cis proline' 0 C--O 1.231 0.132 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.326 -0.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.45 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.77 4.85 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -109.55 -15.25 14.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.64 149.64 13.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -68.14 -33.65 74.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.411 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -124.65 152.47 69.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.72 . . . . 0.0 110.858 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.47 45.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -85.16 -45.11 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 73' ' ' VAL . 44.1 t -118.18 63.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.3 t -75.11 113.87 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.67 HG21 HG11 ' A' ' 102' ' ' VAL . 76.1 mt -121.36 134.68 24.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.67 0.748 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.682 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 54.2 Cg_endo -69.69 150.72 69.01 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.402 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.898 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.37 -35.29 79.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -62.5 -32.32 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.682 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.45 -42.64 96.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.067 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.7 125.23 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.09 -34.54 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -141.78 128.77 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 99' ' ' VAL . 2.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.524 HD22 HG23 ' A' ' 97' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 111' ' ' GLU . 61.6 p -130.7 168.5 17.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -161.57 135.28 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.627 HG22 HG12 ' A' ' 109' ' ' ILE . 88.6 t -89.47 152.26 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 106' ' ' ALA . 26.0 mt -127.71 96.64 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -89.98 100.33 13.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.67 HG11 HG21 ' A' ' 75' ' ' ILE . 3.4 m -76.98 159.51 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -48.29 -40.93 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -59.1 -28.18 66.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.68 50.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 100' ' ' LEU . . . -130.77 123.3 28.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.508 ' HB3' HG13 ' A' ' 99' ' ' VAL . 55.9 mt-10 -95.01 130.71 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.497 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 71.8 m-85 -119.79 98.87 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.627 HG12 HG22 ' A' ' 99' ' ' VAL . 73.3 mt -77.27 115.87 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.72 HD21 ' CE2' ' A' ' 62' ' ' PHE . 7.3 mp -111.77 140.21 46.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.627 ' HA ' HG22 ' A' ' 97' ' ' THR . 61.5 tt0 -111.31 112.58 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.405 HG21 ' HA ' ' A' ' 118' ' ' LYS . 42.8 p -85.53 172.29 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.7 mt -54.48 -56.97 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -146.47 170.25 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.8 p -52.04 -22.8 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.502 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 5.2 mp -72.56 -52.25 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -61.8 -32.87 73.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.405 ' HA ' HG21 ' A' ' 112' ' ' THR . 12.2 ttpt -59.73 -65.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -46.01 -41.73 12.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.445 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 1.6 m -56.29 -52.83 63.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.865 ' O ' HD12 ' A' ' 125' ' ' ILE . 38.6 m95 -58.96 -62.85 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.5 t -37.69 -38.52 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.53 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.82 ' HB3' HD13 ' A' ' 49' ' ' LEU . 40.0 m-20 -60.24 -38.46 83.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.865 HD12 ' O ' ' A' ' 121' ' ' TRP . 4.3 mp -80.46 -53.27 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -58.28 -37.38 74.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.4 -23.79 71.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 129' ' ' VAL . 78.7 m -94.93 -57.74 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' CYS . 5.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 18' ' ' ILE . 3.8 mp -60.9 103.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.601 ' HG2' ' CE1' ' A' ' 58' ' ' PHE . 13.8 mm100 -71.63 -40.11 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.76 147.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -152.55 145.41 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.96 168.46 39.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.13 102.11 11.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.599 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -137.11 173.33 11.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -95.12 149.75 20.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -137.89 159.7 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.8 ptp -156.02 162.45 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.94 127.04 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.14 103.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 72.6 m95 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.748 0.309 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -123.39 129.31 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -59.16 130.52 47.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' LEU . 14.8 p -153.89 174.73 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.2 ttt180 -126.59 113.7 17.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.502 HD11 HD12 ' A' ' 60' ' ' LEU . 14.4 tp -83.5 115.31 22.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.759 HD11 ' HD3' ' A' ' 50' ' ' ARG . 15.7 tp -123.64 125.71 45.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.777 HD13 ' OD2' ' A' ' 124' ' ' ASP . 4.3 tt -109.49 103.94 12.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.759 ' HD3' HD11 ' A' ' 48' ' ' LEU . 5.6 mmm180 -116.9 151.21 37.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.585 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 26.8 ptt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.601 ' CE1' ' HG2' ' A' ' 19' ' ' GLN . 12.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -158.02 131.25 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD12 HD11 ' A' ' 47' ' ' LEU . 2.3 mm? -95.7 143.78 26.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.93 132.4 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.449 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 1.9 m-85 -114.69 91.15 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -75.48 107.76 7.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.2 t -128.7 105.72 18.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.78 170.13 60.06 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.328 -0.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.2 Cg_endo -69.71 -0.92 7.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.742 2.295 . . . . 0.0 112.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.43 -24.66 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.16 139.63 56.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -68.71 -32.15 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -107.66 143.12 26.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.455 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 53.9 Cg_endo -69.75 136.87 34.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.463 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 33.9 tttm -76.9 -40.82 46.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 73' ' ' VAL . 88.0 t -127.4 61.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 36.5 p -65.61 109.91 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.44 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 82.6 mt -117.22 127.53 26.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.49 67.2 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.591 HD11 ' SG ' ' A' ' 128' ' ' CYS . 0.2 OUTLIER -56.68 -42.8 79.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 m -51.28 -31.25 20.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -60.18 -48.56 81.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.0 mm -58.63 134.08 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 pt -131.63 -31.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -144.72 120.01 10.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 83' ' ' VAL . 2.4 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.461 ' HB3' ' N ' ' A' ' 115' ' ' SER . 4.2 p-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.964 0.412 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 p -138.59 156.83 47.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 7.6 p90 -162.8 141.01 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.567 HG22 HG12 ' A' ' 109' ' ' ILE . 93.9 t -97.27 146.38 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.6 mt -120.55 99.77 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -90.3 99.56 12.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 102' ' ' VAL . 5.6 m -74.04 -179.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 79' ' ' ALA . 3.0 pt-20 -77.25 -18.07 57.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -82.58 -11.17 58.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.3 44.72 5.22 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.13 126.18 43.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.095 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.415 ' HB3' HG13 ' A' ' 99' ' ' VAL . 34.8 mt-10 -98.65 124.86 43.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.44 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 57.5 m-85 -113.73 104.79 12.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.567 HG12 HG22 ' A' ' 99' ' ' VAL . 55.5 mt -85.29 110.18 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.0 mp -105.75 144.15 32.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 55.0 tt0 -118.56 103.08 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.599 HG22 HD13 ' A' ' 24' ' ' LEU . 36.0 p -78.69 163.19 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 97.5 mt -42.54 -64.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.435 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 5.8 m-20 -139.13 167.57 21.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.461 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 18.9 p -48.82 -37.53 19.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.86 -40.26 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -74.58 -41.34 60.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.46 ' HZ1' ' CG ' ' A' ' 119' ' ' HIS . 5.9 ttpp -53.07 -69.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.46 ' CG ' ' HZ1' ' A' ' 118' ' ' LYS . 24.8 m-70 -42.35 -42.71 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -55.42 -44.35 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -66.12 -54.77 21.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 72.8 t -41.83 -42.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.19 -40.82 74.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.777 ' OD2' HD13 ' A' ' 49' ' ' LEU . 1.7 t70 -60.55 -30.95 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.3 mt -94.99 -34.17 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.422 ' HA ' HG12 ' A' ' 129' ' ' VAL . 12.5 mt-30 -73.36 -27.27 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.74 -28.14 63.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.591 ' SG ' HD11 ' A' ' 77' ' ' LEU . 21.3 p -93.16 -50.04 5.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.371 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.476 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 10.5 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.0 mt -74.06 104.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -73.95 -50.28 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.54 140.78 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -150.9 129.08 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.67 177.3 38.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.2 114.65 27.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.947 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -144.05 173.61 11.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -98.25 140.84 31.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -129.56 159.58 35.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.405 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 5.5 ptp -154.26 159.66 41.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.48 HG22 ' CD2' ' A' ' 108' ' ' TYR . 93.9 t -122.85 126.47 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.86 101.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.8 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.722 0.296 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -124.31 126.63 46.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.506 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -57.43 130.44 46.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.583 ' HB2' HG22 ' A' ' 64' ' ' VAL . 1.8 p -158.54 171.86 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.8 ttt180 -124.99 124.36 41.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.529 HD23 ' CE3' ' A' ' 121' ' ' TRP . 13.3 tp -92.91 114.3 26.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD21 ' NE ' ' A' ' 50' ' ' ARG . 36.4 tp -113.85 119.34 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 124' ' ' ASP . 1.8 tt -108.06 99.8 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' NE ' HD21 ' A' ' 48' ' ' LEU . 59.5 mtm180 -126.85 162.81 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 8.7 mmt85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 9.0 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.451 ' CG ' ' HA ' ' A' ' 76' ' ' PRO . 1.9 ttt85 -158.39 135.57 9.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.516 HD23 ' CD2' ' A' ' 77' ' ' LEU . 1.3 mm? -100.69 141.97 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -126.98 122.85 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.565 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.4 m-85 -104.23 83.43 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -67.21 113.2 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.583 HG22 ' HB2' ' A' ' 45' ' ' CYS . 1.4 t -133.0 110.2 12.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.75 170.97 55.82 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.397 -0.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.71 6.16 1.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -108.61 -4.04 17.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.01 149.22 37.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.9 p -76.1 -31.96 58.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -112.82 141.13 24.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 138.44 37.89 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -80.48 -43.16 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 73' ' ' VAL . 46.1 t -122.22 63.6 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.3 p -68.75 101.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.433 HG13 HG12 ' A' ' 73' ' ' VAL . 75.2 mt -106.95 129.12 24.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.702 . . . . 0.0 111.158 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.579 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.77 151.41 68.98 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.516 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -65.56 -23.7 66.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.6 t -73.95 -32.61 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.579 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.04 -42.21 93.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.56 HD13 HG12 ' A' ' 102' ' ' VAL . 38.0 mm -59.75 108.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.37 -28.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -156.3 152.39 27.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 83' ' ' VAL . 9.7 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 112' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.913 0.387 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 p -143.12 152.42 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.5 p90 -167.59 146.58 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 17.3 t -100.96 144.22 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.473 HD23 HG23 ' A' ' 83' ' ' VAL . 23.6 mt -118.62 109.42 16.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -96.02 110.76 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.56 HG12 HD13 ' A' ' 80' ' ' ILE . 7.5 m -89.44 177.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -26.25 67.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -86.05 29.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.49 60.97 2.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -136.1 121.81 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.731 0.3 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 16.6 mt-10 -93.62 137.71 32.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.48 ' CD2' HG22 ' A' ' 28' ' ' VAL . 37.8 m-85 -127.33 95.68 4.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.439 HG12 HG22 ' A' ' 99' ' ' VAL . 17.9 mt -76.64 115.12 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.588 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.9 mp -110.85 143.6 41.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -126.27 103.66 7.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.947 HG22 HD13 ' A' ' 24' ' ' LEU . 10.2 p -81.13 175.08 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 98.0 mt -50.24 -74.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -130.26 167.19 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.8 t -49.71 -39.22 36.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.7 mt -53.12 -38.89 63.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -83.2 -38.77 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.4 OUTLIER -65.84 -62.75 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.511 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.0 t60 -42.9 -35.37 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.2 t -69.45 -43.69 72.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.529 ' CE3' HD23 ' A' ' 47' ' ' LEU . 36.9 m95 -54.78 -62.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.648 HG13 HE21 ' A' ' 126' ' ' GLN . 92.9 t -42.29 -37.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.3 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.548 ' HB3' HD13 ' A' ' 49' ' ' LEU . 2.8 m-20 -60.24 -45.37 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mt -70.08 -63.83 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.648 HE21 HG13 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -52.9 -36.35 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.51 -13.72 82.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 33.5 m -99.58 -22.07 15.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 126' ' ' GLN . 12.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.75 0.309 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.8 mt -60.39 111.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -64.32 -51.9 61.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -172.32 152.61 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' CD ' HD13 ' A' ' 48' ' ' LEU . 64.4 tt0 -146.36 150.55 35.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.27 176.5 42.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.36 108.99 18.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.75 172.84 12.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -94.71 131.87 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -122.93 154.59 38.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.1 ptp -152.73 163.52 39.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' A' ' 108' ' ' TYR . 98.2 t -126.0 122.65 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.09 102.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 98.2 m95 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.707 0.289 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -134.31 133.24 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -61.75 127.6 32.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.422 ' SG ' ' CD1' ' A' ' 26' ' ' PHE . 31.0 p -158.78 176.45 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -126.17 131.78 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.662 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 12.9 tp -101.74 114.52 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD13 ' CD ' ' A' ' 21' ' ' GLU . 32.2 tp -117.35 119.39 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 124' ' ' ASP . 4.4 tt -104.75 116.47 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.421 ' C ' ' CD2' ' A' ' 58' ' ' PHE . 23.9 ptt85 -140.1 147.29 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 10.3 ptt180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.499 ' CD2' ' CD2' ' A' ' 49' ' ' LEU . 7.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.865 0.364 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -157.96 126.12 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 77' ' ' LEU . 1.8 mm? -93.94 122.99 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' OE1' HD23 ' A' ' 48' ' ' LEU . 16.5 mt-10 -104.46 134.33 47.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.497 ' CE2' HD21 ' A' ' 110' ' ' LEU . 19.6 m-85 -116.08 99.61 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 76.4 m-85 -82.1 114.51 20.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.532 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 1.4 t -136.61 104.41 9.19 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.724 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.0 Cg_endo -69.8 172.6 48.37 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 -1.811 . . . . 0.0 112.324 -0.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 65' ' ' PRO . 53.9 Cg_endo -69.76 -28.76 24.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.689 2.259 . . . . 0.0 112.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -87.75 -1.0 57.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.88 -13.77 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 1.6 m 64.01 25.06 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.475 ' C ' ' CD2' ' A' ' 63' ' ' PHE . 19.4 mtm180 -169.76 137.86 1.49 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 63' ' ' PHE . 53.1 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -84.14 -41.22 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 73' ' ' VAL . 58.3 t -124.24 62.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.85 107.11 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.774 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 85.1 mt -107.55 128.3 26.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 141.43 45.32 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.49 -47.9 75.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 p -44.37 -32.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -62.13 -43.83 97.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.484 HD13 HG12 ' A' ' 102' ' ' VAL . 50.6 mm -57.78 135.22 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.3 pt -131.66 -36.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -146.14 124.04 12.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.535 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.1 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 118' ' ' LYS . 15.0 p-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.936 0.398 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.6 p -148.51 161.27 41.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.3 p90 -162.47 145.56 11.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.707 HG22 HG12 ' A' ' 109' ' ' ILE . 61.9 t -100.81 126.49 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.11 105.1 17.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 98.92 11.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.484 HG12 HD13 ' A' ' 80' ' ' ILE . 12.6 m -76.72 174.19 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 79' ' ' ALA . 1.6 pp20? -69.41 -39.61 77.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -58.85 -26.74 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 102.3 51.05 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.22 133.41 45.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.699 0.285 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.454 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 42.8 mt-10 -101.64 128.49 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.774 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 49.9 m-85 -120.2 99.28 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.707 HG12 HG22 ' A' ' 99' ' ' VAL . 41.3 mt -80.21 105.7 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 8.6 mp -101.3 139.57 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.565 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 41.1 tt0 -118.16 105.03 11.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.6 p -75.39 -176.8 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.7 mp -57.73 -62.05 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -141.14 174.58 10.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 84.7 p -52.85 -28.19 21.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 10.6 mt -66.44 -65.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -54.09 -27.79 35.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 96' ' ' ASN . 3.2 tmtm? -63.76 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.472 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -50.55 -34.52 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -64.42 -45.19 88.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.662 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 35.1 m95 -61.03 -56.57 19.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.484 HG21 ' NZ ' ' A' ' 118' ' ' LYS . 98.0 t -43.25 -37.24 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.45 49.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.585 ' HB3' HD13 ' A' ' 49' ' ' LEU . 39.6 m-20 -52.52 -36.15 54.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 mt -85.62 -60.5 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.535 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 13.1 mm-40 -51.02 -29.5 12.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -76.68 -22.73 71.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 97.4 m -89.43 -52.46 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.734 0.302 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.29 106.51 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.98 -47.11 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . 0.5 OUTLIER -156.82 141.89 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' OE2' ' NH2' ' A' ' 46' ' ' ARG . 42.2 tt0 -153.0 130.8 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -156.52 -175.11 27.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.4 96.72 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -131.88 173.6 11.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -92.98 154.98 17.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.923 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -142.11 155.24 45.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 ptp -152.56 156.16 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.421 HG22 ' CD2' ' A' ' 108' ' ' TYR . 99.6 t -120.08 126.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 101.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.6 t0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 76.1 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.719 0.295 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -117.13 141.42 48.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.6 ptpt -66.07 131.34 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.582 ' CB ' HG22 ' A' ' 64' ' ' VAL . 2.8 p -155.36 167.34 30.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 37.2 ttt180 -124.24 116.55 22.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 121' ' ' TRP . 13.0 tp -86.71 114.85 23.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 tp -117.88 120.7 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.1 tt -111.27 97.94 7.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -125.77 170.53 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 -179.897 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' HB2' ' HG ' ' A' ' 77' ' ' LEU . 6.3 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -156.69 130.33 8.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 77' ' ' LEU . 2.2 mm? -95.05 151.14 19.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -140.08 122.46 16.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.617 ' HE2' HD21 ' A' ' 110' ' ' LEU . 4.2 m-85 -106.99 101.09 10.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -82.93 101.93 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.923 HG21 ' CE1' ' A' ' 26' ' ' PHE . 4.8 t -122.05 107.8 35.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 111.082 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.08 60.25 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.385 -0.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.77 1.5 4.38 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -98.51 -24.65 15.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.74 145.93 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -66.9 -42.88 84.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -109.29 152.04 42.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 140.8 43.56 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.278 . . . . 0.0 112.328 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -82.53 -39.05 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 73' ' ' VAL . 59.7 t -125.04 62.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.0 p -70.97 109.5 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.6 HD11 ' OH ' ' A' ' 108' ' ' TYR . 86.6 mt -117.53 130.29 24.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 149.85 67.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -60.42 -37.0 79.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -54.24 -35.04 62.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.84 90.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.482 HD13 HG12 ' A' ' 102' ' ' VAL . 26.1 mm -58.04 129.25 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.96 -31.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 17.9 tt0 -153.61 120.43 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' VAL . 2.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 111' ' ' GLU . 4.5 p -141.7 161.07 38.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.7 p90 -155.53 153.2 29.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 83' ' ' VAL . 21.2 t -107.06 143.72 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.1 mt -114.99 103.86 11.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.431 ' NZ ' ' HA2' ' A' ' 105' ' ' GLY . 4.0 tmtm? -91.96 104.93 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.482 HG12 HD13 ' A' ' 80' ' ' ILE . 2.7 m -81.95 -178.81 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 5.5 pt-20 -84.68 -33.42 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.479 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 2.1 m120 -68.07 -23.47 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.431 ' HA2' ' NZ ' ' A' ' 101' ' ' LYS . . . 102.11 78.86 1.35 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.438 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -163.4 121.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -94.37 125.33 38.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.6 ' OH ' HD11 ' A' ' 75' ' ' ILE . 41.0 m-85 -113.86 109.34 18.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.1 mt -92.83 109.47 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.617 HD21 ' HE2' ' A' ' 62' ' ' PHE . 7.8 mp -105.4 146.15 29.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.662 ' HA ' HG22 ' A' ' 97' ' ' THR . 53.5 tt0 -116.75 102.03 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.534 HG21 ' HA ' ' A' ' 118' ' ' LYS . 70.3 p -73.15 -177.55 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.55 -69.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.68 169.22 14.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.6 p -52.63 -21.16 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.449 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 18.3 mt -74.63 -44.14 51.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -68.33 -36.42 79.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.534 ' HA ' HG21 ' A' ' 112' ' ' THR . 6.5 ttpt -57.67 -65.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -45.95 -46.99 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.524 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 1.6 m -50.82 -45.14 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.563 ' CD2' HD23 ' A' ' 47' ' ' LEU . 45.8 m95 -64.86 -57.77 7.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.7 t -42.07 -41.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.62 -42.15 68.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.611 ' HB3' HD13 ' A' ' 49' ' ' LEU . 13.7 m-20 -61.08 -31.82 71.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.442 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 15.7 mt -90.79 -37.93 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -72.38 -28.36 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.03 -26.53 73.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.457 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 129' ' ' VAL . 2.5 p -92.69 -56.62 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 128' ' ' CYS . 14.6 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.8 mp -49.5 110.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -81.7 -45.78 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HG2' ' CD2' ' A' ' 121' ' ' TRP . 3.4 tpm_? -161.32 141.08 10.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -151.75 139.31 19.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' OE2' ' A' ' 21' ' ' GLU . . . -167.01 -175.88 37.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.3 97.09 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -129.03 171.31 12.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -96.45 142.15 28.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.76 162.81 26.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.9 ptp -156.05 166.14 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' CD2' ' A' ' 108' ' ' TYR . 82.4 t -124.71 133.7 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.25 107.3 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 93.2 m95 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.765 0.317 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -127.13 128.53 46.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -56.15 122.91 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.429 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 15.0 p -150.81 172.33 15.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 34.5 ttm180 -124.42 129.43 50.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.661 HD11 HD12 ' A' ' 60' ' ' LEU . 13.1 tp -99.31 118.89 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 tp -124.18 121.04 34.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 tt -111.99 97.83 6.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -118.67 154.95 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 58' ' ' PHE . 10.1 mtp85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CE1' ' HG2' ' A' ' 51' ' ' ARG . 30.4 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -151.87 126.58 9.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.661 HD12 HD11 ' A' ' 47' ' ' LEU . 1.2 mm? -90.38 133.09 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -125.04 129.48 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.5 m-85 -111.92 101.26 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -85.34 112.46 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 65' ' ' PRO . 1.8 t -130.25 105.39 16.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.66 170.38 58.34 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.359 -0.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.7 Cg_endo -69.77 -0.86 7.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.4 -28.05 16.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.17 150.56 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.1 m -75.99 -39.23 56.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -104.59 139.9 20.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 142.83 48.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -79.16 -46.11 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.2 t -122.07 67.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.1 p -74.42 109.88 8.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.564 HG21 HG11 ' A' ' 102' ' ' VAL . 72.5 mt -118.94 131.57 24.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.669 0.747 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.05 68.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.6 HD23 HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -54.86 -42.4 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -52.73 -37.61 59.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.48 -48.54 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -57.94 133.87 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pt -129.11 -33.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -144.18 138.39 28.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 83' ' ' VAL . 6.8 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.483 ' HB3' ' N ' ' A' ' 115' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.883 0.373 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 111' ' ' GLU . 20.6 p -141.74 162.45 35.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 9.3 p90 -161.26 138.76 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.67 HG22 HG12 ' A' ' 109' ' ' ILE . 21.6 t -94.56 138.36 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.3 mt -114.51 104.04 11.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -96.05 102.79 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.564 HG11 HG21 ' A' ' 75' ' ' ILE . 3.9 m -74.22 167.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 2.8 pt-20 -61.68 -29.74 70.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.479 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 0.8 OUTLIER -67.68 -30.14 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.44 47.96 0.95 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.97 123.06 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 14.7 mt-10 -93.96 128.1 40.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.404 ' CD2' HG22 ' A' ' 28' ' ' VAL . 68.7 m-85 -119.2 104.94 10.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.67 HG12 HG22 ' A' ' 99' ' ' VAL . 55.4 mt -86.74 107.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.2 mp -102.03 139.1 38.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.525 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 36.0 tt0 -112.6 109.32 18.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.766 HG22 HD13 ' A' ' 24' ' ' LEU . 39.6 p -87.79 176.38 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 117' ' ' GLN . 88.1 mt -48.33 -63.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -156.02 168.93 25.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 23.1 m -38.23 -36.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.07 -62.23 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.485 ' HG3' HD12 ' A' ' 113' ' ' ILE . 18.9 mm-40 -65.58 -41.8 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.53 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 8.7 tmtt? -52.57 -61.77 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.53 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.0 t60 -48.81 -37.9 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.6 m -61.79 -59.66 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' TRP . . . . . 0.593 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 48.2 m95 -45.53 -59.26 2.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.7 t -45.75 -31.17 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -70.96 -59.08 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.43 ' OD1' ' HA ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -52.7 -48.85 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.7 mt -60.55 -67.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' CG ' HG11 ' A' ' 83' ' ' VAL . 11.2 mt-30 -55.01 -27.78 46.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.04 -28.85 64.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 129' ' ' VAL . 49.2 t -93.56 -62.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 128' ' ' CYS . 4.1 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -167.2 165.83 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.907 0.385 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -153.38 135.17 14.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.76 -56.3 0.67 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m 61.32 41.82 12.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -90.19 -51.67 5.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.82 179.49 18.68 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -105.34 98.14 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -110.7 92.71 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.26 119.06 32.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.58 127.57 40.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.94 24.2 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 13' ' ' VAL . 10.6 p -43.0 128.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -102.49 44.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.4 mt -120.23 -177.77 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 p -97.2 143.96 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -52.52 65.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.8 mp -62.05 115.56 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -71.03 -46.46 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.435 HH22 ' NE2' ' A' ' 117' ' ' GLN . 17.9 ttt-85 -164.87 146.35 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.54 ' OE1' HD13 ' A' ' 48' ' ' LEU . 72.8 tt0 -146.38 135.11 22.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.71 165.63 36.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.45 108.24 19.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.695 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -136.16 172.19 13.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.57 148.28 23.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.47 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -138.56 152.31 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.479 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 4.4 ptp -153.67 150.23 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -109.21 130.58 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.1 104.56 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -160.31 173.4 15.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -52.15 37.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.454 ' HB1' ' NE2' ' A' ' 41' ' ' GLN . . . 54.39 25.21 5.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.53 44.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.0 p -87.79 44.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.24 -159.51 27.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -43.39 2.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.323 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.73 156.76 33.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.96 -80.12 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.64 142.92 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' TRP . . . -55.83 113.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' NE2' ' HB1' ' A' ' 32' ' ' ALA . 30.7 mm-40 -41.21 -26.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ALA . 74.6 m95 -39.73 124.24 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -116.57 142.85 46.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.581 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -74.59 127.95 34.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB2' HG22 ' A' ' 64' ' ' VAL . 7.5 p -157.55 163.92 37.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -116.45 122.06 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.644 HD23 ' CD2' ' A' ' 121' ' ' TRP . 13.2 tp -90.36 118.89 30.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.54 HD13 ' OE1' ' A' ' 21' ' ' GLU . 18.7 tp -122.95 112.82 18.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.717 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.5 tt -100.56 107.19 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HD2' HD21 ' A' ' 48' ' ' LEU . 10.0 ptm180 -137.28 148.31 46.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 6.9 ptp180 -65.78 144.71 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.21 163.76 12.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.535 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 29.1 m -118.71 163.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 53' ' ' VAL . . . 73.64 42.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' GLU . . . 107.35 -78.35 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' GLY . 4.3 tp10 -36.38 134.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 58' ' ' PHE . 9.6 ptt-85 -77.71 -54.13 6.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.536 ' CD1' ' HA ' ' A' ' 51' ' ' ARG . 12.5 m-85 -139.71 173.12 11.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -158.26 127.72 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 77' ' ' LEU . 2.6 mm? -88.95 135.38 33.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -122.46 131.08 53.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.724 ' O ' HG23 ' A' ' 64' ' ' VAL . 5.1 m-85 -115.27 80.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -62.75 105.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 62' ' ' PHE . 1.0 OUTLIER -128.21 108.58 19.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 111.154 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.21 64.53 Favored 'Cis proline' 0 C--O 1.232 0.204 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.331 -0.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -0.58 7.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.387 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -104.23 -4.74 22.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 150.83 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -30.56 66.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -126.5 154.65 75.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.74 43.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.736 2.291 . . . . 0.0 112.36 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -83.4 -48.38 10.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 73' ' ' VAL . 43.8 t -116.72 59.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.2 p -70.55 104.67 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.516 HG23 ' HD2' ' A' ' 76' ' ' PRO . 60.7 mt -111.85 134.97 21.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.9 Cg_endo -69.76 149.28 66.66 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.725 2.284 . . . . 0.0 112.37 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.05 -16.09 63.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -75.61 -29.94 59.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -61.48 -41.19 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.11 125.21 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 102' ' ' VAL . 0.5 OUTLIER -119.25 -19.3 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -168.15 132.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.534 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.4 p -112.24 104.1 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -85.71 129.22 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.7 p -103.13 17.0 25.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.589 ' O ' ' HE3' ' A' ' 87' ' ' MET . 46.9 p -94.1 175.14 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.589 ' HE3' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -135.18 152.82 77.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 110.86 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -163.59 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 89' ' ' LEU . 11.9 tp -90.74 -23.86 20.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -85.67 -6.68 59.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -103.9 135.55 19.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 5.92 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 64.77 54.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.513 ' HZ1' ' CD ' ' A' ' 111' ' ' GLU . 28.4 mtpt -49.52 143.83 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -79.48 -9.35 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -124.65 59.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.9 p -152.96 149.52 28.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.0 p90 -155.83 151.8 27.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 17.7 t -102.61 145.51 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.416 HD21 ' CE1' ' A' ' 98' ' ' PHE . 23.3 mt -120.96 106.67 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -93.42 115.7 28.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.51 ' O ' HD11 ' A' ' 81' ' ' ILE . 4.4 m -93.65 -177.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' ALA . 4.9 pt-20 -78.92 -10.26 59.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.21 30.53 3.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 45.5 59.11 4.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.441 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -139.44 128.1 23.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.733 0.301 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 41.5 mt-10 -105.1 132.62 51.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -118.53 101.79 8.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.479 ' HB ' ' CG ' ' A' ' 27' ' ' MET . 78.2 mt -79.17 114.76 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.586 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.7 mp -110.73 157.3 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.513 ' CD ' ' HZ1' ' A' ' 94' ' ' LYS . 18.5 tt0 -136.54 114.77 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.695 HG22 HD13 ' A' ' 24' ' ' LEU . 82.8 p -93.52 179.65 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.1 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.22 -71.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 14.7 p-10 -137.03 175.82 9.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 p -51.44 -18.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -72.77 -48.78 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.435 ' NE2' HH22 ' A' ' 20' ' ' ARG . 4.1 mm100 -70.26 -49.5 49.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -46.27 -69.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -40.46 -58.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 27.4 t -40.97 -60.4 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.644 ' CD2' HD23 ' A' ' 47' ' ' LEU . 39.2 m95 -44.58 -57.92 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -45.38 -28.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -80.25 -42.02 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.717 ' HB3' HD13 ' A' ' 49' ' ' LEU . 19.8 m-20 -61.55 -36.77 81.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.462 HG23 HD21 ' A' ' 77' ' ' LEU . 25.9 mt -78.35 -56.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.57 ' HA ' HG12 ' A' ' 129' ' ' VAL . 11.6 mm100 -57.6 -36.43 71.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.51 -22.99 68.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 73.4 m -93.74 -53.91 3.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 126' ' ' GLN . 10.7 p -49.25 -42.45 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.477 ' N ' HG13 ' A' ' 129' ' ' VAL . 4.1 m-20 -77.74 -51.82 9.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 132' ' ' GLY . 13.4 t -43.52 -46.52 6.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' SER . . . -37.27 146.06 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 160.25 50.4 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.5 t -61.81 -57.06 13.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 t -110.31 154.96 22.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.447 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -159.74 168.89 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -163.81 164.09 23.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.14 111.37 1.39 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 p -146.84 146.66 30.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.916 0.388 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -152.86 173.7 15.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.8 41.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -42.84 138.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -140.75 167.78 21.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.94 46.81 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.79 126.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -172.39 163.26 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.711 HG13 ' O ' ' A' ' 13' ' ' VAL . 14.9 p -69.17 101.67 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.542 ' C ' HD13 ' A' ' 15' ' ' LEU . 2.6 tm-20 -112.5 26.99 10.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.629 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -115.02 16.77 17.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 p -176.9 145.57 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.6 -50.22 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.38 109.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.503 ' HB2' HD22 ' A' ' 49' ' ' LEU . 9.6 mm100 -78.8 -44.87 22.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -159.05 141.84 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 1.4 tm-20 -147.2 121.56 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -148.07 -175.35 20.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.62 92.99 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 110' ' ' LEU . 0.1 OUTLIER -124.23 173.31 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -95.68 139.01 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -125.91 164.17 21.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.406 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 4.7 ptp -157.72 160.02 37.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.2 t -121.48 123.78 70.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 104.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.48 150.02 33.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.44 163.37 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -164.44 164.91 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.8 -60.45 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.9 p -134.77 134.47 40.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.39 -161.88 9.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 178.48 4.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.334 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.08 75.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.78 -53.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.6 p -120.69 175.41 6.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.14 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' HB1' ' HD1' ' A' ' 42' ' ' TRP . . . -65.76 124.24 21.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' TRP . 34.2 tt0 -37.02 -35.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 98.5 m95 -34.88 128.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -116.47 125.37 51.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.571 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.2 mtpm? -58.44 133.54 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.66 ' HB2' HG22 ' A' ' 64' ' ' VAL . 18.1 p -158.57 172.85 17.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -124.34 115.07 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.527 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 11.6 tp -86.58 123.32 31.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.9 tp -128.17 119.64 25.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.6 tt -103.17 99.03 8.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -115.04 148.15 39.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -83.35 141.93 31.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 56' ' ' GLU . . . -95.92 137.28 35.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -116.71 148.79 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 53.92 48.54 21.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.73 -103.73 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HG2' ' CB ' ' A' ' 52' ' ' ALA . 5.7 pt-20 -95.45 179.38 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HG3' ' CD2' ' A' ' 58' ' ' PHE . 9.5 tpt180 -80.23 -71.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.53 ' CD2' ' SG ' ' A' ' 128' ' ' CYS . 12.4 m-85 -126.81 168.3 14.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -153.88 127.33 8.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.777 HD23 HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -94.58 140.23 30.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -128.47 124.54 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.797 ' O ' HG23 ' A' ' 64' ' ' VAL . 6.5 m-85 -107.26 79.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -60.92 104.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 62' ' ' PHE . 2.1 t -127.36 115.6 21.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 111.166 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.53 57.76 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.354 -0.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 3.26 2.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -109.74 0.59 18.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.76 148.23 31.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.045 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.4 m -75.03 -32.8 61.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -111.2 147.11 35.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 142.75 48.96 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 40.6 tttp -86.8 -47.71 8.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.06 66.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.0 p -75.36 100.83 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.564 HG23 ' HD2' ' A' ' 76' ' ' PRO . 78.2 mt -110.95 136.24 20.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.576 0.703 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.564 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.7 Cg_endo -69.82 150.64 68.09 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.777 HD23 HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.76 -17.82 64.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.2 p -72.74 -35.73 67.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -56.47 -42.78 78.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.9 mm -58.04 123.42 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.57 -22.93 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -162.38 142.11 9.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.7 p -116.83 98.17 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -71.16 73.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.2 p -51.87 -17.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.9 t -90.89 149.89 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 30.3 mmt -102.39 152.81 38.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.537 0.684 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -165.25 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.6 tp -79.49 11.61 2.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -121.0 38.06 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.467 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 2.8 ttt -159.57 141.22 9.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 91' ' ' MET . 53.5 Cg_endo -69.76 3.47 2.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 68.83 50.03 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -53.32 126.56 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.94 -2.1 8.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -122.96 43.74 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 p -145.14 148.86 34.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.712 ' CD1' HD21 ' A' ' 100' ' ' LEU . 11.1 p90 -151.12 152.62 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 83' ' ' VAL . 33.8 t -109.16 134.93 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.712 HD21 ' CD1' ' A' ' 98' ' ' PHE . 8.8 mt -110.92 109.67 19.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -98.08 110.94 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 102' ' ' VAL . 4.7 m -82.32 175.01 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.0 pt-20 -69.5 -30.04 67.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 10.9 m-20 -70.49 -15.59 62.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.21 53.88 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.1 126.28 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 17.5 mt-10 -95.64 129.49 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -116.78 97.2 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.46 ' C ' HD12 ' A' ' 110' ' ' LEU . 20.3 mt -79.86 115.86 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.706 HD21 ' HE2' ' A' ' 62' ' ' PHE . 7.8 mp -110.91 152.39 26.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.504 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 31.6 tt0 -121.29 107.66 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 24' ' ' LEU . 25.8 p -87.62 175.66 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 79.2 mt -56.91 -67.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -143.18 167.59 21.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 t -41.79 -29.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.2 mp -61.65 -51.82 66.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -67.27 -47.55 70.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -46.87 -64.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -47.4 -52.01 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 124' ' ' ASP . 1.7 m -45.67 -43.64 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.527 ' CZ2' ' HB3' ' A' ' 47' ' ' LEU . 48.3 m95 -68.63 -60.18 2.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.8 t -38.71 -46.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.06 -50.4 64.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.58 ' HB3' HD13 ' A' ' 49' ' ' LEU . 28.7 m-20 -52.08 -37.06 52.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.8 mt -83.81 -63.95 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -46.17 -36.91 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.505 ' O ' ' CA ' ' A' ' 132' ' ' GLY . . . -70.59 -37.83 68.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.53 ' SG ' ' CD2' ' A' ' 58' ' ' PHE . 90.4 m -76.15 -32.78 59.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' CYS . 40.3 t -34.37 -49.1 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 129' ' ' VAL . 3.6 m-20 -176.47 134.79 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.2 p 54.81 54.98 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 127' ' ' GLY . . . -71.3 -80.52 0.33 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -3.44 12.07 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.3 t -39.77 155.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.5 p -165.31 148.07 7.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 p -70.84 83.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -140.84 122.71 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.47 -43.01 25.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -44.0 -59.71 2.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -38.93 139.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.27 137.04 13.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -165.4 132.0 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.67 163.06 13.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.03 131.2 38.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.93 105.85 12.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -134.98 128.33 32.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -137.43 140.12 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -75.84 108.77 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 15' ' ' LEU . 3.2 pp -128.84 178.03 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.83 137.76 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -48.49 -57.66 5.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.5 mp -52.34 116.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -86.78 -48.24 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' CD ' ' HB3' ' A' ' 120' ' ' SER . 26.6 ttm-85 -161.41 140.71 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -148.27 126.8 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.89 -176.75 20.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.79 101.09 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.37 173.64 11.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -95.76 141.41 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.71 155.65 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.411 ' HE3' ' CD2' ' A' ' 42' ' ' TRP . 7.8 ptp -151.04 162.43 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.2 t -123.98 126.16 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.71 104.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -164.85 152.04 11.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -89.1 171.36 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -146.81 124.57 11.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.48 -43.02 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.1 m -156.6 172.04 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.67 -170.94 21.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 176.67 6.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.09 -163.16 9.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.1 -179.06 42.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.1 m -69.0 -54.45 15.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 111.102 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.32 141.58 37.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -57.56 -19.72 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.518 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.1 m95 -50.19 137.58 17.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -129.55 130.4 45.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.538 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.0 ptpt -60.92 129.24 40.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.531 ' CB ' HG22 ' A' ' 64' ' ' VAL . 24.2 p -158.7 169.22 24.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 37.2 ttt180 -120.05 119.1 32.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 110' ' ' LEU . 12.8 tp -89.5 116.72 27.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.4 tp -119.57 117.99 29.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.664 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.5 tt -101.68 98.11 8.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -114.26 158.69 21.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -92.42 139.5 30.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.94 149.32 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.84 162.05 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 51.97 46.83 25.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.12 -138.32 6.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.501 ' OE1' ' CB ' ' A' ' 76' ' ' PRO . 21.0 tt0 -40.99 155.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -73.18 -70.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.511 ' CD2' ' CD2' ' A' ' 49' ' ' LEU . 5.8 m-85 -121.15 170.17 9.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -157.95 120.52 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.636 HD23 ' CD2' ' A' ' 77' ' ' LEU . 3.2 mm? -85.15 154.25 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -138.98 121.4 16.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.551 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.5 m-85 -103.39 86.08 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -68.0 109.08 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 62' ' ' PHE . 2.3 t -128.0 111.57 20.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.3 Cg_endo -69.73 170.18 59.62 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.317 -0.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.8 3.6 2.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.636 2.224 . . . . 0.0 112.334 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -114.88 5.75 15.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.5 166.33 23.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -84.86 -34.76 22.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -120.53 151.69 54.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 149.41 67.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.282 . . . . 0.0 112.349 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -95.49 -45.36 7.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.9 t -124.95 67.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 m -74.08 111.28 9.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.621 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 82.7 mt -111.93 132.7 21.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.501 ' CB ' ' OE1' ' A' ' 56' ' ' GLU . 53.7 Cg_endo -69.77 147.84 63.66 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -70.09 -23.04 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -71.31 -31.49 67.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.473 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -64.97 -37.4 87.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.412 HD13 HG12 ' A' ' 102' ' ' VAL . 47.1 mm -60.14 123.91 13.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 pt -118.19 -36.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -143.87 134.14 24.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 p -124.8 129.63 73.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -94.54 157.84 15.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.582 HG22 HG21 ' A' ' 122' ' ' VAL . 40.5 p -125.96 -40.42 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.2 t -98.35 158.38 15.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.87 158.23 52.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.57 0.7 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -163.81 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.725 2.284 . . . . 0.0 112.349 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.37 47.95 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -123.98 -44.39 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.481 ' C ' ' H ' ' A' ' 93' ' ' GLU . 2.3 mmt -75.66 160.52 78.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 53.7 Cg_endo -69.7 19.78 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 91' ' ' MET . 57.0 mt-10 65.27 55.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -103.94 129.58 51.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.14 39.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 96' ' ' ASN . 2.3 p-10 -135.0 32.17 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 111' ' ' GLU . 10.5 p -138.09 154.63 49.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.514 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.9 p90 -153.73 146.98 24.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.627 HG22 HG12 ' A' ' 109' ' ' ILE . 59.2 t -103.13 140.69 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.7 mt -109.96 105.85 15.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.6 99.83 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.412 HG12 HD13 ' A' ' 80' ' ' ILE . 8.0 m -77.36 176.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -70.42 -39.26 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -60.26 -23.33 64.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 98.57 51.75 1.39 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.8 129.43 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -100.49 124.12 45.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.621 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 53.3 m-85 -114.99 97.28 6.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.627 HG12 HG22 ' A' ' 99' ' ' VAL . 42.9 mt -77.47 116.24 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.087 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 47' ' ' LEU . 10.5 mp -111.45 140.62 45.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.518 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 39.9 tt0 -110.92 103.17 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.6 p -78.06 172.17 13.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.0 mp -61.36 -63.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.85 167.72 20.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.9 p -45.18 -54.32 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 46.7 mt -43.07 -43.46 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -67.52 -47.49 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 118' ' ' LYS . 1.2 ttpm? -51.3 -69.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -43.15 -48.08 6.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.437 ' HB3' ' CD ' ' A' ' 20' ' ' ARG . 1.7 m -50.36 -49.85 52.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 51.8 m95 -60.09 -54.51 45.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.582 HG21 HG22 ' A' ' 85' ' ' THR . 61.8 t -48.48 -37.6 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.3 -49.08 29.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.664 ' HB3' HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -57.07 -33.91 67.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 44.1 mt -82.29 -61.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.446 ' O ' HG12 ' A' ' 129' ' ' VAL . 17.1 mt-30 -54.88 -31.41 59.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.46 -24.38 76.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 130' ' ' ASP . 64.4 m -91.81 -51.74 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 130' ' ' ASP . 2.2 p -34.63 -32.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 128' ' ' CYS . 6.0 m-20 -175.25 132.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.9 t -31.79 95.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 130' ' ' ASP . . . -129.71 120.88 3.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -47.17 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.9 t 55.04 41.37 31.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 96.5 p -120.94 99.64 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.462 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 m -144.91 157.7 44.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.7 p -62.57 -33.17 74.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.2 152.19 8.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.441 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 m 56.06 47.91 18.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -57.87 144.45 38.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.28 103.3 0.48 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.26 104.82 15.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tp 45.62 43.81 9.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.0 137.31 17.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.04 146.69 30.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.31 44.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -78.11 141.35 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -118.75 117.02 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.4 mt -146.05 174.5 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.3 132.63 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -59.95 4.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.762 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.0 mp -57.78 102.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.053 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.502 ' HB2' HD22 ' A' ' 49' ' ' LEU . 6.3 mm100 -64.27 -47.89 77.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -161.77 147.48 13.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.18 123.76 7.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.35 -178.63 28.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.27 115.1 23.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.827 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -147.08 172.99 12.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -95.06 149.25 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.483 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -135.26 154.27 51.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.7 ptp -150.96 155.76 39.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -114.48 128.37 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.22 101.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -164.7 145.61 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -101.36 163.08 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.65 -59.08 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -172.91 167.76 5.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 t -81.64 109.6 16.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.06 -164.31 11.32 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 89.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 48.02 -160.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.29 104.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.8 m -112.4 -42.67 3.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 111.127 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.37 96.36 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -97.1 124.32 41.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 67.6 m95 -77.77 163.57 26.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -138.36 122.36 17.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.53 ' O ' HG13 ' A' ' 64' ' ' VAL . 30.0 mtmm -56.6 131.97 50.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.531 ' CB ' HG22 ' A' ' 64' ' ' VAL . 4.1 p -158.37 174.98 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 30.1 ttm180 -126.3 119.95 28.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD23 ' CE3' ' A' ' 121' ' ' TRP . 11.5 tp -86.64 117.62 25.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.547 HD11 ' HE ' ' A' ' 50' ' ' ARG . 9.4 tp -115.3 120.27 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 19' ' ' GLN . 2.3 tt -114.06 99.99 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.547 ' HE ' HD11 ' A' ' 48' ' ' LEU . 13.1 ptp180 -136.72 157.89 45.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 14.7 mmm-85 -66.63 157.85 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.945 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -117.31 123.76 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ALA . 34.6 m -92.43 156.06 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . 37.54 52.4 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.66 -103.06 0.16 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.945 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 30.2 tp10 -117.57 163.84 15.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -53.18 -64.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.484 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 8.7 m-85 -127.89 170.5 12.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -158.25 125.93 5.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.68 HD23 HD23 ' A' ' 77' ' ' LEU . 1.1 mm? -94.76 133.6 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -122.86 127.63 49.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.5 m-85 -105.98 86.22 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -69.02 109.09 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.531 HG22 ' CB ' ' A' ' 45' ' ' CYS . 3.1 t -126.89 104.97 22.91 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.659 0.742 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.81 170.21 59.83 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.328 -0.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.8 1.51 4.4 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.64 2.227 . . . . 0.0 112.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -118.0 8.39 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.25 179.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.8 p -89.0 -26.55 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -143.46 155.44 60.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 139.22 39.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HE3' HG23 ' A' ' 73' ' ' VAL . 20.3 ttpp -80.9 -46.96 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.491 HG23 ' HE3' ' A' ' 72' ' ' LYS . 40.3 t -119.43 63.06 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.6 p -72.75 98.96 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.539 HG23 ' HD2' ' A' ' 76' ' ' PRO . 69.0 mt -109.56 134.96 20.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.729 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 75' ' ' ILE . 54.2 Cg_endo -69.72 150.23 68.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.68 HD23 HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.48 -15.31 62.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -80.26 -30.65 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.13 95.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.6 mm -59.65 113.46 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -99.05 -35.01 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -153.63 141.86 20.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.2 p -116.44 99.75 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -75.03 98.77 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.2 p -86.61 37.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.2 m -131.88 146.99 52.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -120.57 163.0 31.53 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -163.12 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.708 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -86.98 27.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -123.73 43.1 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.478 ' C ' ' H ' ' A' ' 93' ' ' GLU . 11.0 tpp -148.07 136.5 11.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.543 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 54.2 Cg_endo -69.78 20.72 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' A' ' 92' ' ' PRO . 10.1 pt-20 47.96 55.06 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HE3' ' CG ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -91.53 -1.03 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.46 ' N ' ' HD2' ' A' ' 94' ' ' LYS . 4.0 m-20 38.03 54.96 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.78 ' OD1' HG23 ' A' ' 97' ' ' THR . 2.3 p-10 -131.02 22.77 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.78 HG23 ' OD1' ' A' ' 96' ' ' ASN . 69.4 p -140.78 179.8 6.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.8 p90 -170.06 144.05 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.542 ' O ' HG23 ' A' ' 83' ' ' VAL . 16.9 t -100.1 134.97 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.57 HD23 HG23 ' A' ' 83' ' ' VAL . 26.6 mt -111.48 102.97 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.952 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.28 107.59 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.628 ' CG2' ' HB3' ' A' ' 106' ' ' ALA . 2.8 m -87.08 178.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -67.77 -25.13 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' GLY . 4.4 m120 -89.13 37.54 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 37.27 62.17 0.92 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.515 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.628 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -135.11 126.02 27.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.457 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 73.6 mt-10 -102.0 132.8 47.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -119.51 102.65 8.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.432 HG22 ' CH2' ' A' ' 42' ' ' TRP . 62.3 mt -84.72 106.02 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.7 mp -105.77 140.03 39.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.747 ' HA ' HG22 ' A' ' 97' ' ' THR . 19.7 tt0 -110.53 111.97 23.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.827 HG22 HD13 ' A' ' 24' ' ' LEU . 62.5 p -95.03 174.35 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.493 HG13 ' NE2' ' A' ' 117' ' ' GLN . 26.5 mm -42.46 -75.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -152.25 176.56 11.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.2 p -39.82 -32.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.45 -61.15 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.493 ' NE2' HG13 ' A' ' 113' ' ' ILE . 25.6 mt-30 -70.92 -39.52 72.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -53.92 -58.38 7.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.3 t60 -58.35 -30.09 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 p -68.87 -43.98 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.572 ' CE3' HD23 ' A' ' 47' ' ' LEU . 33.5 m95 -62.59 -58.68 6.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.4 t -45.41 -44.07 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.38 78.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.423 ' HB3' HD13 ' A' ' 49' ' ' LEU . 13.6 m-20 -59.22 -40.77 86.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 68.9 mt -74.14 -63.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -52.75 -36.05 57.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.5 -15.53 70.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 17.0 m -95.41 -54.62 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.403 ' HA ' HD12 ' A' ' 77' ' ' LEU . 4.0 p -46.54 -32.53 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -76.2 -50.5 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.3 m -131.54 -74.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 160.16 -70.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 167.89 23.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.4 m -63.99 98.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 6.1 m -49.42 -59.62 3.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -123.65 148.8 46.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -150.07 172.5 15.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.8 151.07 11.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -124.87 -62.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 t -170.35 153.55 4.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.3 67.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -109.14 -33.28 6.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -84.65 47.16 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.0 80.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.054 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.14 -58.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -99.76 92.18 5.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 13' ' ' VAL . 13.6 p -93.21 93.23 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -86.72 51.52 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -87.11 143.66 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.2 t -52.82 130.36 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -38.93 -58.25 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.37 113.75 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.652 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 4.0 mt-30 -81.41 -55.13 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -146.02 141.99 28.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.513 ' HG3' HD13 ' A' ' 48' ' ' LEU . 2.3 tm-20 -149.74 118.91 6.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.65 177.77 27.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.445 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.83 94.33 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -122.94 172.21 8.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -95.42 146.65 24.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.741 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -134.42 152.45 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.3 ptp -154.05 154.44 33.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 108' ' ' TYR . 89.0 t -116.08 127.8 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.65 102.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -151.45 129.15 11.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.17 152.43 21.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.68 -52.98 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.53 42.42 27.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -113.15 -44.57 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.89 -172.48 30.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 159.65 52.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.09 -169.18 28.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.64 134.9 13.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.3 m -73.15 -55.6 6.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.24 99.18 6.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 132.37 51.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 78.1 m95 -88.76 147.76 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -126.76 123.4 37.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.653 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -55.12 134.84 49.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.726 ' CB ' HG22 ' A' ' 64' ' ' VAL . 10.2 p -158.83 171.39 20.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 56.9 ttp85 -123.5 113.49 18.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.602 HD11 HD12 ' A' ' 60' ' ' LEU . 12.6 tp -83.89 117.74 23.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD13 ' HG3' ' A' ' 21' ' ' GLU . 24.7 tp -125.57 118.69 26.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.819 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.2 tt -108.2 111.92 24.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -132.0 160.2 36.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -65.58 159.94 23.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.24 118.81 25.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.39 148.55 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.98 46.44 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.83 -141.07 7.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' CD ' ' HB2' ' A' ' 78' ' ' SER . 9.6 tp10 -51.15 167.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.2 mtt85 -77.71 -52.61 8.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CZ ' ' CD ' ' A' ' 19' ' ' GLN . 11.2 m-85 -123.66 171.43 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -156.87 127.96 6.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD22 ' HG ' ' A' ' 49' ' ' LEU . 2.0 mm? -89.77 133.29 34.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -123.05 127.17 48.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.464 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 1.6 m-85 -107.54 90.08 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -76.78 108.62 9.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.741 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.4 t -129.6 113.71 17.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 54.0 Cg_endo -69.68 170.39 58.36 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.379 -0.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.75 3.01 3.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.47 11.66 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.68 165.26 25.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -92.17 9.47 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.478 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -167.26 151.18 6.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 155.48 65.92 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -106.23 -41.92 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 73' ' ' VAL . 86.0 t -126.88 63.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -74.76 114.46 13.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.557 HG21 HG11 ' A' ' 102' ' ' VAL . 61.2 mt -121.95 134.34 24.67 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.706 0.765 . . . . 0.0 111.068 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.1 Cg_endo -69.8 146.61 60.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.575 HD23 HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -54.16 -41.11 68.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.436 ' HB2' ' CD ' ' A' ' 56' ' ' GLU . 30.4 t -54.1 -37.51 64.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.72 -42.72 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.688 HD13 HG12 ' A' ' 102' ' ' VAL . 33.4 mm -65.6 129.36 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.6 -30.63 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -151.83 142.66 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.615 HG11 ' HG2' ' A' ' 126' ' ' GLN . 2.7 p -135.72 118.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -89.43 157.94 17.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.4 p -129.95 29.41 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.2 m -136.38 135.62 38.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.6 mmt -108.54 153.63 42.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -165.51 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -84.9 58.3 4.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -127.75 -33.86 2.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.7 mtt -93.4 165.49 18.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.599 0.714 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 10.93 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 74.96 52.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -95.14 174.95 6.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -128.33 46.67 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -135.04 32.77 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.4 p -142.56 147.93 36.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 4.5 p90 -151.32 147.82 27.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 83' ' ' VAL . 41.6 t -101.65 135.97 35.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.148 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.56 104.95 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -95.48 102.45 14.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.688 HG12 HD13 ' A' ' 80' ' ' ILE . 4.5 m -79.58 178.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -24.21 63.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -86.03 30.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.06 59.88 3.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.444 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -137.58 122.2 18.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.457 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 19.3 mt-10 -96.52 135.08 38.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.463 ' CD2' HG22 ' A' ' 28' ' ' VAL . 70.6 m-85 -122.37 95.39 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.413 HG22 ' CH2' ' A' ' 42' ' ' TRP . 40.0 mt -76.11 111.55 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 8.6 mp -109.66 142.28 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 31.6 tt0 -114.18 108.47 17.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.481 HG22 HD13 ' A' ' 24' ' ' LEU . 44.8 p -83.78 -177.03 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.583 ' H ' HD12 ' A' ' 113' ' ' ILE . 5.3 mp -67.32 -58.76 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.695 ' OD2' HD13 ' A' ' 116' ' ' LEU . 43.2 p-10 -149.87 177.93 9.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 89.5 p -57.24 -23.49 48.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.695 HD13 ' OD2' ' A' ' 114' ' ' ASP . 5.2 mp -69.48 -39.53 77.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.435 ' HG3' HD13 ' A' ' 113' ' ' ILE . 38.7 mm-40 -83.4 -37.86 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.404 ' HA ' HG21 ' A' ' 112' ' ' THR . 14.8 tttp -58.56 -65.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -46.4 -42.55 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -61.01 -43.35 99.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.56 ' CE3' HD23 ' A' ' 47' ' ' LEU . 30.7 m95 -61.63 -62.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.7 t -39.63 -33.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.97 -49.4 45.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.819 ' HB3' HD13 ' A' ' 49' ' ' LEU . 43.3 m-20 -52.86 -35.01 56.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.93 -67.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.615 ' HG2' HG11 ' A' ' 83' ' ' VAL . 10.7 mm100 -48.95 -32.3 8.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.07 -41.31 92.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 129' ' ' VAL . 41.1 t -82.62 -54.69 4.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 128' ' ' CYS . 51.5 t -29.61 -52.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 131' ' ' SER . 17.4 m-20 -167.72 130.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 130' ' ' ASP . 1.8 m -31.05 97.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 130' ' ' ASP . . . -145.02 69.15 0.4 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.03 11.2 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 135' ' ' SER . 65.8 p -111.82 136.89 50.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 134' ' ' SER . 1.8 m -35.48 -47.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -121.95 97.57 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -91.91 96.65 10.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.77 111.79 0.47 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -104.0 114.92 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 7' ' ' GLY . 35.8 p -113.31 -51.89 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.49 -141.56 0.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.453 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -172.23 122.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -77.24 131.81 38.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.86 166.91 10.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.09 -179.77 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 43.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 p -123.34 140.17 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' LEU . 1.3 tm-20 -91.8 44.5 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 16' ' ' VAL . 2.5 tt -37.19 131.61 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.417 ' N ' HD23 ' A' ' 15' ' ' LEU . 95.8 t -64.49 127.06 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -53.55 -48.36 69.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.7 mt -77.86 131.94 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.619 ' HB2' HD22 ' A' ' 49' ' ' LEU . 8.0 mm100 -95.54 -47.26 6.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -162.53 139.31 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.631 ' HG3' HD13 ' A' ' 48' ' ' LEU . 1.3 tm-20 -147.44 131.22 16.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.73 176.57 32.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.75 97.72 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -133.74 173.58 11.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 42' ' ' TRP . 28.0 mtm180 -93.57 154.57 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.722 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -143.25 146.82 33.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.0 ptp -144.26 154.96 43.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.431 HG22 ' CD2' ' A' ' 108' ' ' TYR . 97.1 t -113.83 131.12 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.42 102.87 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -164.18 153.61 13.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -101.97 97.7 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.35 143.48 44.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 45.01 42.21 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.2 p -62.25 159.47 14.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.32 -144.98 6.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 1.61 4.22 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.55 167.13 39.98 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.33 116.53 0.63 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 p -117.46 157.34 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.14 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.25 98.0 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -96.16 125.64 40.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 43.9 m95 -77.06 167.08 22.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -135.23 129.16 33.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -61.39 130.06 44.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.574 ' CB ' HG22 ' A' ' 64' ' ' VAL . 8.6 p -158.84 173.49 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 46.9 ttt180 -123.31 112.35 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 110' ' ' LEU . 21.3 tp -83.96 113.32 20.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.631 HD13 ' HG3' ' A' ' 21' ' ' GLU . 11.6 tp -119.4 126.43 51.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.0 tt -106.5 97.55 7.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' HG3' HD11 ' A' ' 48' ' ' LEU . 37.8 mtm180 -111.16 153.6 25.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 7.3 ttm180 -87.85 141.25 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -92.42 152.28 19.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.62 150.87 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 46.05 47.84 12.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.01 -98.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 4.2 tp10 -102.21 165.81 10.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.425 ' NH2' ' HA ' ' A' ' 78' ' ' SER . 12.9 ptt-85 -66.6 -55.3 15.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.507 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 10.3 m-85 -140.79 173.17 11.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -157.4 131.08 8.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.508 HD23 ' CD2' ' A' ' 77' ' ' LEU . 2.2 mm? -92.46 150.96 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -134.55 131.09 37.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 1.4 m-85 -116.17 88.35 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -72.56 113.01 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.722 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -133.68 107.76 11.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 170.79 56.85 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.295 -0.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.453 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.4 Cg_endo -69.73 -0.86 7.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.84 -17.85 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.45 139.9 58.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -69.16 -33.47 73.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -108.52 143.54 27.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 143.4 50.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -83.17 -48.31 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.94 66.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.0 p -73.65 101.2 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.654 HG21 HG11 ' A' ' 102' ' ' VAL . 71.6 mt -105.55 133.19 20.3 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.649 0.738 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.465 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.1 Cg_endo -69.84 147.62 62.77 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.302 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -64.09 -21.1 66.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.425 ' HA ' ' NH2' ' A' ' 57' ' ' ARG . 3.7 t -73.39 -32.65 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.43 -39.27 86.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.492 HD13 HG12 ' A' ' 102' ' ' VAL . 50.3 mm -58.0 130.47 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.33 -30.1 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -157.8 140.11 14.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.7 p -119.61 98.31 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -75.71 104.73 6.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.6 p -84.31 32.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.5 m -136.02 149.67 48.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.537 ' CE ' HG23 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -120.1 159.98 44.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.911 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -162.88 0.1 OUTLIER 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -78.17 41.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -135.0 20.47 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.422 ' C ' ' H ' ' A' ' 93' ' ' GLU . 2.0 tpp -130.46 136.97 29.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' ' 93' ' ' GLU . 53.8 Cg_endo -69.76 11.36 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 91' ' ' MET . 4.9 tp10 71.9 54.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' CG ' ' HG2' ' A' ' 92' ' ' PRO . 2.1 mmmm -99.4 136.66 39.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.19 42.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.484 ' HA ' ' CB ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -134.06 24.45 3.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.3 p -135.33 157.83 45.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CD1' HD21 ' A' ' 100' ' ' LEU . 23.2 p90 -160.83 145.79 14.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.537 HG22 HG12 ' A' ' 109' ' ' ILE . 97.1 t -104.9 136.03 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD21 ' CD1' ' A' ' 98' ' ' PHE . 12.4 mt -110.35 105.9 15.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -95.36 101.28 12.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.654 HG11 HG21 ' A' ' 75' ' ' ILE . 4.0 m -76.75 177.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.02 -22.53 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -88.25 34.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.92 61.39 1.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.45 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.532 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -139.64 122.44 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -97.55 136.42 37.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.452 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 68.3 m-85 -124.14 97.02 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.537 HG12 HG22 ' A' ' 99' ' ' VAL . 46.2 mt -77.27 116.5 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.569 HD23 HD22 ' A' ' 47' ' ' LEU . 8.0 mp -114.5 146.01 41.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 30.5 tt0 -124.02 113.05 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.565 HG22 HD13 ' A' ' 24' ' ' LEU . 37.2 p -86.06 -177.3 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.204 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.74 -65.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -134.05 174.04 10.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 51.9 p -60.25 -25.71 65.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.01 -39.02 79.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -80.93 -26.97 36.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.484 ' CB ' ' HA ' ' A' ' 96' ' ' ASN . 2.8 tmtt? -70.55 -62.83 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.483 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -41.88 -42.4 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 4.5 t -56.96 -50.18 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.449 ' CE2' HD23 ' A' ' 47' ' ' LEU . 47.3 m95 -53.37 -63.5 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.5 t -41.55 -40.42 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.68 -42.25 64.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.623 ' HB3' HD13 ' A' ' 49' ' ' LEU . 4.5 m-20 -60.32 -40.26 89.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.68 -65.15 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -48.2 -38.51 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.9 -40.94 95.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 129' ' ' VAL . 82.5 m -76.79 -44.85 31.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.458 ' O ' ' CG ' ' A' ' 130' ' ' ASP . 42.2 t -33.6 -48.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 131' ' ' SER . 21.8 m-20 -168.58 130.62 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 130' ' ' ASP . 11.7 t -31.12 99.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -107.34 -161.74 21.56 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 134' ' ' SER . 54.1 Cg_endo -69.71 3.08 2.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.381 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 133' ' ' PRO . 29.7 m -33.53 -63.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 53.2 p -103.08 139.6 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.6 p -87.26 130.88 34.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -173.08 162.85 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.89 -165.98 18.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -71.25 164.06 26.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.382 . . . . 0.0 110.86 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -146.22 155.64 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.88 -137.77 2.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.571 ' C ' HD13 ' A' ' 9' ' ' LEU . 16.1 p30 -93.47 176.12 6.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.841 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -146.67 -179.88 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.65 150.73 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.78 80.11 5.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -115.83 144.53 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 p -98.83 144.88 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.12 123.13 16.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.3 mt -137.59 -178.14 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 18' ' ' ILE . 10.9 p -99.53 147.67 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -52.37 64.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.556 ' O ' HG13 ' A' ' 16' ' ' VAL . 41.7 mt -64.98 138.13 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.606 ' CG ' HD22 ' A' ' 49' ' ' LEU . 10.9 mm100 -94.1 -38.11 11.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -171.83 135.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' CD ' HD13 ' A' ' 48' ' ' LEU . 63.6 tt0 -137.16 133.17 34.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.98 166.23 32.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.71 100.2 10.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -130.7 173.49 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -99.66 151.49 21.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.444 ' CE1' HG21 ' A' ' 64' ' ' VAL . 1.5 p90 -140.99 158.93 43.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.63 ' HE2' ' HB2' ' A' ' 41' ' ' GLN . 9.9 ptp -152.24 162.13 41.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 108' ' ' TYR . 87.5 t -117.78 133.2 65.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.41 104.08 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.25 153.06 31.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.04 110.43 22.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.54 123.8 9.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.96 -45.17 6.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.5 m -49.02 -57.12 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.32 -165.23 32.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 178.14 4.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.647 2.232 . . . . 0.0 112.328 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -143.18 -67.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.57 -53.71 2.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.4 t -65.46 158.86 25.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.124 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' HB1' ' HD1' ' A' ' 42' ' ' TRP . . . -74.93 120.22 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.63 ' HB2' ' HE2' ' A' ' 27' ' ' MET . 35.7 mm-40 -48.74 -33.84 11.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.486 ' CD2' ' HE3' ' A' ' 27' ' ' MET . 97.1 m95 -35.75 120.44 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -121.55 128.9 52.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -57.3 130.14 44.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.409 ' HB2' HG22 ' A' ' 64' ' ' VAL . 8.2 p -154.31 165.57 35.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 54.0 ttt180 -118.01 112.55 20.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.536 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 10.1 tp -84.25 122.5 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.502 HD13 ' CD ' ' A' ' 21' ' ' GLU . 30.9 tp -126.11 111.73 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.606 HD22 ' CG ' ' A' ' 19' ' ' GLN . 4.6 tt -95.36 97.8 10.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -100.16 159.2 15.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 1.7 ttp180 -88.56 141.46 28.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.58 166.45 11.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 55' ' ' GLY . 32.6 m -75.25 163.48 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -32.07 -37.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' VAL . . . -47.76 -66.16 2.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.431 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 78' ' ' SER . 6.2 tp10 -110.01 156.88 19.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.574 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 6.4 ptp180 -63.17 -59.76 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 57' ' ' ARG . 11.8 m-85 -152.29 -175.03 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -150.71 132.57 15.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.444 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -107.5 134.64 50.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -120.59 149.25 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.469 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 1.4 m-85 -130.55 91.01 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -73.19 122.08 21.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.486 ' HB ' ' CD ' ' A' ' 72' ' ' LYS . 1.6 t -142.56 108.36 5.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.2 Cg_endo -69.79 170.28 59.4 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.327 0.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.79 1.11 4.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -10.16 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.76 148.26 44.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.039 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.0 t -75.9 -29.07 58.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -113.1 146.2 34.7 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.596 0.713 . . . . 0.0 110.818 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.42 35.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 56.8 tttt -82.37 -44.62 15.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 73' ' ' VAL . 95.8 t -122.09 66.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.9 p -67.69 118.25 10.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.5 mt -119.7 110.68 36.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.87 31.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 129' ' ' VAL . 0.4 OUTLIER -50.69 -28.66 9.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.433 ' HB2' ' CD ' ' A' ' 56' ' ' GLU . 38.6 t -62.57 -29.95 70.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.0 -35.1 57.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.44 138.23 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.62 -35.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -143.71 130.95 20.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.1 p -124.03 103.95 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 mtp-105 -73.87 162.37 29.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.5 p -125.88 -23.12 4.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.2 m -106.6 113.19 26.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.418 ' HE1' ' HA ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -85.48 163.13 45.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -163.51 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 89' ' ' LEU . 4.2 mm? -72.2 65.22 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -135.03 14.87 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' A' ' 91' ' ' MET . 0.7 OUTLIER -166.53 155.28 9.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 13.37 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 91' ' ' MET . 38.4 mt-10 65.93 54.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -79.62 9.28 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 38.97 40.54 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -133.45 37.88 3.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 111' ' ' GLU . 21.0 p -144.86 161.18 39.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 11.5 p90 -158.75 137.39 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.706 HG22 HG12 ' A' ' 109' ' ' ILE . 60.5 t -97.3 144.95 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.12 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.2 mt -110.01 103.3 12.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.22 101.4 14.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 106' ' ' ALA . 1.7 m -82.87 160.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.25 -28.07 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -65.56 -29.58 70.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 110.24 10.84 21.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.827 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -99.02 135.59 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 111.136 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 3.2 mp0 -106.52 140.95 38.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.468 ' CE2' HG11 ' A' ' 73' ' ' VAL . 26.3 m-85 -126.28 107.65 10.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.706 HG12 HG22 ' A' ' 99' ' ' VAL . 31.0 mt -86.56 109.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -105.57 142.63 34.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.432 ' HA ' HG22 ' A' ' 97' ' ' THR . 0.0 OUTLIER -112.1 145.28 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 113' ' ' ILE . 36.0 p -125.89 154.9 42.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.729 HD12 ' NE2' ' A' ' 117' ' ' GLN . 47.5 mt -33.4 -63.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.602 ' CG ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -146.25 -177.58 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.6 p -57.78 -30.92 66.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.479 ' HG ' ' N ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -61.73 -42.02 98.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.729 ' NE2' HD12 ' A' ' 113' ' ' ILE . 20.7 mt-30 -73.88 -42.3 60.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -55.4 -69.39 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -42.42 -42.7 3.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.6 m -55.57 -54.96 37.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.536 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 40.8 m95 -53.71 -61.3 2.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.9 t -39.96 -34.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -67.11 -57.94 5.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.567 ' HB2' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -56.62 -50.71 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.05 -64.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.498 ' HA ' HG12 ' A' ' 129' ' ' VAL . 14.0 mt-30 -53.37 -54.45 36.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -46.21 -19.26 0.38 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 86.4 m -95.11 -56.12 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 126' ' ' GLN . 4.1 p -55.13 -36.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -61.15 -68.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.5 m -119.4 -59.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 136.64 -75.64 0.39 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -23.69 30.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t -49.37 139.88 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 30.3 t -171.94 132.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -128.26 145.8 50.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -142.96 165.53 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.89 175.93 32.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -139.11 160.04 40.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -115.34 163.64 15.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.33 -143.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -142.52 113.65 7.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -74.29 96.85 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.54 159.77 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.22 123.19 27.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 13' ' ' VAL . 10.5 tptm -122.35 150.0 43.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' LYS . 11.3 p -33.98 140.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -87.31 93.8 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.791 ' C ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -101.36 161.84 13.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.573 ' C ' HD22 ' A' ' 15' ' ' LEU . 2.4 p -51.37 97.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' A' ' 16' ' ' VAL . 79.6 m-20 -30.85 -64.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.3 mp -54.3 98.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' CG ' HD22 ' A' ' 49' ' ' LEU . 26.5 mm100 -44.74 -63.24 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -152.64 166.06 33.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' OE2' HD13 ' A' ' 48' ' ' LEU . 29.5 tt0 -153.93 141.47 19.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.29 164.22 35.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.535 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.89 105.17 14.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -137.22 173.46 11.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 25' ' ' ARG . 2.7 mpt_? -91.09 144.91 25.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.768 ' CE1' HG21 ' A' ' 64' ' ' VAL . 1.1 p90 -128.91 158.87 37.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.933 ' HE1' ' HB2' ' A' ' 41' ' ' GLN . 5.8 ptp -160.36 163.18 33.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.5 t -121.18 143.4 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.47 111.31 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.33 -55.98 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.13 105.82 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.82 -60.22 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.87 -68.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 m -165.9 163.74 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.04 -162.08 8.96 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 124.09 10.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.631 2.221 . . . . 0.0 112.331 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.06 -170.37 52.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.2 59.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.5 p -113.25 169.18 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 111.143 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.653 ' HB1' ' HD1' ' A' ' 42' ' ' TRP . . . -84.95 99.56 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.933 ' HB2' ' HE1' ' A' ' 27' ' ' MET . 66.2 mt-30 -38.61 -28.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.653 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 95.5 m95 -36.37 120.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -123.01 134.25 54.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -59.35 127.51 32.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.522 ' HB2' HG22 ' A' ' 64' ' ' VAL . 2.6 p -157.69 167.83 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 46.3 ttt180 -117.28 120.62 38.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 60' ' ' LEU . 15.0 tp -90.21 114.53 26.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD13 ' OE2' ' A' ' 21' ' ' GLU . 15.3 tp -116.34 130.99 57.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.648 HD13 ' HB2' ' A' ' 124' ' ' ASP . 2.1 tt -117.13 104.5 11.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.521 ' C ' ' CD2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -132.38 146.04 51.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.514 ' N ' ' CE2' ' A' ' 58' ' ' PHE . 6.8 ptp180 -67.52 141.02 57.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -82.38 120.68 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 m -87.03 140.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 53.65 42.64 31.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -175.52 -135.32 2.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 17.2 pt-20 -62.17 -176.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 0.0 110.95 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -76.49 -53.13 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CD2' ' C ' ' A' ' 50' ' ' ARG . 13.5 m-85 -142.08 177.0 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 20.5 ttp180 -158.46 123.26 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.669 HD23 HD23 ' A' ' 77' ' ' LEU . 1.9 mm? -87.22 126.12 34.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -113.64 121.53 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 4.9 m-85 -103.24 93.07 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -76.83 114.24 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.768 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.5 t -133.9 107.72 11.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 170.11 59.85 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.339 -0.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.83 2.52 3.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -99.51 -20.3 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.62 142.64 57.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -68.97 -35.18 76.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -107.08 143.91 28.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.565 0.697 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.458 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 53.9 Cg_endo -69.79 141.16 44.38 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.445 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 46.0 tttt -78.36 -45.77 21.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.3 t -124.44 64.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.458 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 81.7 p -72.29 105.16 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.535 HG23 ' HD2' ' A' ' 76' ' ' PRO . 67.3 mt -113.63 135.34 21.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.535 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.6 Cg_endo -69.8 144.03 52.49 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.289 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.669 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -56.98 -39.8 75.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.8 p -51.84 -35.3 44.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.26 -44.65 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 15.1 mm -57.93 127.8 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.63 -35.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -149.4 128.67 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.649 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.8 p -109.7 96.98 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -80.07 113.45 18.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 81.9 p -90.29 38.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.487 ' O ' ' CE ' ' A' ' 87' ' ' MET . 39.7 p -135.77 174.22 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -140.3 157.65 68.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -164.4 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.746 2.297 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.57 51.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.7 -51.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.488 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 16.9 ttm -80.35 141.17 52.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 91' ' ' MET . 53.8 Cg_endo -69.74 12.54 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 91' ' ' MET . 10.7 tt0 75.02 51.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -72.86 122.65 21.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.93 36.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -134.99 25.99 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.877 HG22 ' HA ' ' A' ' 111' ' ' GLU . 15.0 p -141.81 177.87 7.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.9 p90 -171.24 142.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 39.9 t -99.08 136.31 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 83' ' ' VAL . 27.9 mt -109.54 103.52 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.53 102.66 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 106' ' ' ALA . 3.3 m -83.82 173.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.12 -20.22 64.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -90.67 36.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 38.63 63.03 1.06 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.579 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -142.79 121.07 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.442 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 74.5 mt-10 -99.8 131.8 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -118.23 103.34 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.573 HG22 ' CH2' ' A' ' 42' ' ' TRP . 21.7 mt -83.56 112.88 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.584 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.2 mp -111.15 137.52 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.877 ' HA ' HG22 ' A' ' 97' ' ' THR . 25.6 tt0 -107.45 110.24 22.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.626 HG22 HD13 ' A' ' 24' ' ' LEU . 51.9 p -84.75 -174.92 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.98 -64.9 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -141.35 -175.0 4.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 83.2 p -57.75 -34.47 69.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.452 HD23 ' H ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -59.0 -61.92 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -57.57 -40.65 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -59.84 -69.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -42.92 -42.84 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.484 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 2.4 t -57.46 -55.87 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.419 ' HA ' ' OD1' ' A' ' 124' ' ' ASP . 44.5 m95 -49.67 -56.4 10.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.2 t -49.54 -25.77 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -77.09 -56.32 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.648 ' HB2' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -56.4 -53.49 56.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.7 mt -54.75 -63.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -51.96 -48.4 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.38 -34.24 54.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.426 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.441 ' SG ' ' CD1' ' A' ' 58' ' ' PHE . 24.5 m -74.42 -40.7 61.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 94.4 t -40.84 -50.59 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -121.72 -60.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 t -174.84 143.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -168.46 135.65 3.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 146.37 60.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 42.9 m -109.0 135.08 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 78.6 p -101.48 107.7 19.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -168.27 177.38 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.843 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -163.85 148.48 10.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.71 -130.96 3.59 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.538 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 t -165.45 155.2 12.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -140.2 121.13 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.63 164.61 24.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -69.85 84.96 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.571 ' CD1' ' HB2' ' A' ' 11' ' ' ALA . 2.8 pp -156.02 140.46 16.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.78 -55.88 22.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . . . 61.6 39.84 14.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -110.93 58.19 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.8 m -54.91 162.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -125.86 89.51 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -147.51 161.83 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 16' ' ' VAL . 12.8 p -62.04 126.41 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' VAL . 3.7 m-20 -35.32 -64.94 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.718 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.4 mp -51.48 128.21 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.505 ' CG ' HD22 ' A' ' 49' ' ' LEU . 23.0 mm100 -92.73 -57.88 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' ' 121' ' ' TRP . 5.0 tpm_? -152.37 144.36 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -146.68 120.8 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.6 170.81 33.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.85 101.05 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -129.21 173.63 10.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -98.76 141.2 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.653 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -130.44 162.89 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.463 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 10.2 ptp -154.82 164.59 38.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.6 t -122.54 125.06 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.15 102.86 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -168.97 160.87 10.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.29 103.1 15.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -127.83 152.35 47.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.63 155.33 39.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 t -104.83 148.42 26.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.81 -162.63 24.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 162.7 41.08 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.73 164.6 40.1 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.82 50.3 0.8 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 40' ' ' ALA . 26.9 m -102.43 155.34 18.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.32 . . . . 0.0 111.174 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' N ' HG22 ' A' ' 39' ' ' THR . . . -71.42 151.6 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 42' ' ' TRP . 69.9 mt-30 -48.64 -37.3 17.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.543 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 99.2 m95 -34.33 135.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -124.18 130.0 51.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -58.99 131.99 52.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.461 ' CB ' HG22 ' A' ' 64' ' ' VAL . 14.0 p -157.91 167.05 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 20.2 ttp180 -122.98 115.02 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.67 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 10.1 tp -84.12 123.85 30.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 tp -127.94 111.51 13.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.505 HD22 ' CG ' ' A' ' 19' ' ' GLN . 4.2 tt -103.58 103.62 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -120.39 171.04 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -78.77 156.74 28.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.11 165.21 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 54' ' ' ALA . 29.7 m -78.6 160.78 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -33.62 132.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.24 -64.37 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.76 136.7 32.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.8 mmt-85 -63.24 -70.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.441 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 14.9 m-85 -137.99 167.81 21.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -139.28 129.61 25.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.37 138.05 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -124.54 139.33 53.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 5.2 m-85 -123.23 90.5 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -73.01 107.68 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -127.28 107.93 21.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.3 Cg_endo -69.84 170.8 57.07 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.301 0.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.461 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.81 13.73 0.28 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 65' ' ' PRO . 37.7 mmtt -111.18 -24.59 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.38 147.77 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 m -69.66 -40.17 76.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -109.46 151.83 42.38 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.647 0.737 . . . . 0.0 110.843 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.54 30.72 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.718 2.278 . . . . 0.0 112.298 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -77.75 -47.27 19.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.496 ' O ' HG12 ' A' ' 73' ' ' VAL . 46.8 t -121.3 62.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.8 p -67.44 107.36 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.54 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 59.8 mt -112.25 121.85 38.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.15 17.12 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.474 ' HA ' HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -42.82 -39.21 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.9 m -51.78 -40.13 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.03 -40.27 84.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.035 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.442 HD13 HG12 ' A' ' 102' ' ' VAL . 51.1 mm -59.53 133.57 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 pt -126.74 -34.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -146.44 138.3 24.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.515 HG12 ' OE1' ' A' ' 126' ' ' GLN . 2.7 p -125.15 97.39 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -67.59 91.66 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.754 HG21 ' CG1' ' A' ' 122' ' ' VAL . 64.0 p -82.81 37.62 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.4 m -160.48 120.51 2.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.452 ' SD ' HG23 ' A' ' 99' ' ' VAL . 1.6 mpp? -98.39 162.41 21.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -166.53 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.782 ' H ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -75.72 48.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -105.9 -37.34 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.516 ' CG ' ' HB2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -96.32 122.07 58.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.563 0.697 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -57.48 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.281 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -134.98 29.76 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.516 ' HB2' ' CG ' ' A' ' 91' ' ' MET . 6.3 mtpt -99.99 81.58 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -98.9 33.29 2.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.483 ' HB3' ' N ' ' A' ' 115' ' ' SER . 0.4 OUTLIER -127.46 43.08 3.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.0 p -136.32 143.64 44.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 9.7 p90 -141.02 138.65 33.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.577 HG22 HG12 ' A' ' 109' ' ' ILE . 57.7 t -95.42 134.58 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.3 mt -106.58 104.62 14.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.43 106.46 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 106' ' ' ALA . 2.0 m -83.58 172.68 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.202 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.72 -42.01 35.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -33.86 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 113.91 76.12 0.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.542 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.748 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -169.12 133.6 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -104.56 139.07 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.54 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 57.3 m-85 -124.29 105.37 9.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.577 HG12 HG22 ' A' ' 99' ' ' VAL . 71.8 mt -86.15 109.74 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.3 mp -107.32 139.19 42.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.543 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 20.2 tt0 -113.93 121.33 43.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.505 HG22 HD13 ' A' ' 24' ' ' LEU . 39.2 p -95.69 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 89.4 mt -50.07 -60.82 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.453 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -147.35 164.66 32.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 40.3 t -46.77 -29.36 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 34.2 mt -64.0 -42.22 97.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -79.01 -24.82 43.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -70.14 -58.51 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -46.48 -39.16 10.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 3.6 t -60.65 -48.72 80.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.67 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 52.8 m95 -59.14 -56.32 23.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.754 ' CG1' HG21 ' A' ' 85' ' ' THR . 41.1 t -45.19 -40.76 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.99 -51.74 36.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.3 -40.14 73.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.6 mt -75.6 -59.47 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.515 ' OE1' HG12 ' A' ' 83' ' ' VAL . 7.8 mm100 -53.12 -36.13 60.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.89 -25.68 70.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 129' ' ' VAL . 71.0 m -83.9 -62.11 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.491 HG13 ' CG ' ' A' ' 130' ' ' ASP . 12.3 p -36.51 -36.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.491 ' CG ' HG13 ' A' ' 129' ' ' VAL . 1.0 OUTLIER -175.6 131.84 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.1 t -32.16 98.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -127.56 -144.48 5.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 112.21 3.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.724 2.283 . . . . 0.0 112.298 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 51.4 p -107.16 145.4 32.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 39.7 t -117.63 153.93 32.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -37.39 133.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -156.55 175.33 14.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.61 152.72 8.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 p -113.99 164.23 14.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.856 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -110.42 147.54 33.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.96 -161.16 10.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -155.35 175.23 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 mt -149.64 145.39 26.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.18 98.16 5.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.9 170.21 3.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -66.34 146.09 54.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.7 t -72.94 102.74 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -126.09 96.61 4.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.17 122.6 38.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 17' ' ' ASP . 84.5 t -142.11 132.69 24.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 16' ' ' VAL . 57.1 m-20 -34.43 -60.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 50' ' ' ARG . 39.7 mm -67.34 115.7 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -81.93 -60.69 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -148.88 144.14 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -148.32 127.89 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.13 -173.42 22.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.71 98.48 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.801 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -130.93 173.84 10.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -98.09 139.96 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -124.39 160.38 28.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.421 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 5.4 ptp -156.98 155.9 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG22 ' CD2' ' A' ' 108' ' ' TYR . 87.8 t -115.12 134.47 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.07 106.04 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -147.06 152.44 38.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -107.44 108.74 20.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -143.89 152.16 40.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.87 101.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 p -106.72 148.13 28.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.8 -150.57 6.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 105.83 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.99 -60.93 0.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.21 -117.89 2.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 m -39.11 146.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.17 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.98 142.75 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -42.32 -36.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.581 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 99.6 m95 -34.84 130.89 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -119.29 124.99 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -55.53 129.45 38.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.454 ' CB ' HG22 ' A' ' 64' ' ' VAL . 23.9 p -155.19 164.79 38.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 28.5 ttt180 -117.51 119.12 34.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.695 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 12.9 tp -91.55 116.44 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.3 tp -119.73 111.53 18.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.697 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.6 tt -98.69 111.94 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HB3' HD13 ' A' ' 18' ' ' ILE . 7.1 ptm180 -143.54 145.61 32.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 58' ' ' PHE . 7.2 ptm180 -67.82 142.03 56.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -84.79 158.89 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.28 146.85 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 48.27 44.03 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.24 -128.18 1.12 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.608 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 9.6 tp10 -71.38 168.5 17.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -62.39 -64.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 6.9 m-85 -127.58 174.07 9.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 76' ' ' PRO . 19.5 ttp180 -158.42 127.85 5.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD23 ' CD2' ' A' ' 77' ' ' LEU . 1.7 mm? -93.93 140.55 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -126.45 122.66 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.652 ' CE2' HD21 ' A' ' 110' ' ' LEU . 9.9 m-85 -104.35 91.57 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -71.62 106.75 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 45' ' ' CYS . 2.5 t -126.5 109.3 23.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.76 170.42 58.56 Favored 'Cis proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.354 -0.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.468 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.3 Cg_endo -69.77 4.03 2.43 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.643 2.228 . . . . 0.0 112.359 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -119.01 10.32 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.82 -176.98 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 p -99.08 -28.33 13.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -132.0 149.73 74.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.642 0.734 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.21 37.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -81.25 -49.95 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -114.97 69.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.9 p -80.03 100.13 8.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.663 HG23 ' HD2' ' A' ' 76' ' ' PRO . 70.5 mt -110.54 138.73 21.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.9 Cg_endo -69.78 150.41 68.06 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.614 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -65.64 -29.83 70.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.493 ' HB2' ' CG ' ' A' ' 56' ' ' GLU . 9.7 t -64.76 -35.2 80.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -54.71 -41.49 70.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.418 HD13 HG12 ' A' ' 102' ' ' VAL . 45.2 mm -58.68 128.32 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.9 -30.23 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -152.11 143.28 23.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.557 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.0 p -129.24 112.98 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.47 155.91 38.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.7 p -134.99 26.45 3.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.6 t -153.06 168.08 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.458 ' CB ' ' HB2' ' A' ' 91' ' ' MET . 0.0 OUTLIER -130.85 156.46 79.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.891 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -162.45 0.09 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.19 49.76 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 91' ' ' MET . 12.5 pt-20 -134.05 -42.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.458 ' HB2' ' CB ' ' A' ' 87' ' ' MET . 4.9 tpp -75.56 137.75 70.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.709 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.418 ' HG2' ' CG ' ' A' ' 94' ' ' LYS . 53.5 Cg_endo -69.75 17.09 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.373 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 91' ' ' MET . 1.3 tp10 74.26 55.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' CG ' ' HG2' ' A' ' 92' ' ' PRO . 48.0 mmtt -104.37 116.24 31.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.22 45.0 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 96' ' ' ASN . 1.2 p-10 -134.97 36.62 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.4 p -152.76 155.04 36.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 7.1 p90 -159.82 144.98 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.584 HG22 HG12 ' A' ' 109' ' ' ILE . 73.2 t -100.16 128.32 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.405 HD21 ' CD1' ' A' ' 98' ' ' PHE . 19.1 mt -99.78 104.59 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -95.47 107.62 19.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 106' ' ' ALA . 5.5 m -87.18 176.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -70.24 -21.85 62.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -88.4 32.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.8 62.73 1.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -140.71 121.74 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.416 ' HB3' HG13 ' A' ' 99' ' ' VAL . 58.7 mt-10 -96.82 140.64 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.42 ' CD2' HG22 ' A' ' 28' ' ' VAL . 61.9 m-85 -130.82 96.04 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.584 HG12 HG22 ' A' ' 99' ' ' VAL . 52.9 mt -75.97 112.4 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.652 HD21 ' CE2' ' A' ' 62' ' ' PHE . 9.4 mp -109.14 137.92 46.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.581 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 29.3 tt0 -115.27 103.33 10.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.801 HG22 HD13 ' A' ' 24' ' ' LEU . 66.5 p -81.21 178.78 8.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.04 -64.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -151.4 -175.28 5.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.3 p -55.84 -28.1 54.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.4 mt -62.88 -41.28 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -85.46 -43.0 13.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.546 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 3.3 tmtm? -55.32 -61.03 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.494 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 13.0 t60 -50.82 -34.47 27.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -67.26 -42.37 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.695 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 55.7 m95 -63.46 -59.14 5.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.546 HG21 ' HZ2' ' A' ' 118' ' ' LYS . 77.2 t -40.7 -43.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.13 -43.32 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.697 ' HB3' HD13 ' A' ' 49' ' ' LEU . 35.9 m-20 -61.21 -33.98 74.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.472 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 6.7 mt -87.99 -36.98 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.557 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 12.9 mm-40 -73.73 -26.03 60.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.09 -34.13 52.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' A' ' 125' ' ' ILE . 2.2 p -85.19 -50.71 7.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 130' ' ' ASP . 13.5 p -39.44 -43.22 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 129' ' ' VAL . 14.0 m-20 -173.69 132.8 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 130' ' ' ASP . 2.2 m -31.96 -60.47 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.92 -119.02 17.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -27.98 25.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.7 p -102.99 171.47 7.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 40.8 t -118.97 135.55 54.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -158.4 171.17 20.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -95.73 -47.21 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.25 173.98 27.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 t -143.46 160.79 39.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -123.62 157.32 34.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.43 136.35 4.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -83.54 84.88 7.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.91 105.78 13.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.83 138.9 43.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.77 121.31 5.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -95.36 125.39 39.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 p -138.49 136.01 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -126.62 114.39 17.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.41 179.13 6.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 p -86.86 133.33 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -39.11 -59.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.4 mt -53.37 103.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 24.2 mm100 -60.73 -52.05 66.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 17.0 mtt85 -163.1 167.63 22.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -153.47 143.79 22.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.18 166.19 35.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.82 98.98 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.667 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -128.45 173.0 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' CD ' ' HB3' ' A' ' 42' ' ' TRP . 48.7 mtt180 -93.84 140.99 29.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -129.69 160.99 31.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 8.8 ptp -154.86 166.46 33.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.4 t -126.4 128.49 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.43 101.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -150.43 175.71 11.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.44 -49.85 9.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 45.59 27.2 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.5 -47.0 24.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.1 t -101.23 93.35 5.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -172.76 -172.34 38.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 136.22 32.28 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.244 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.72 97.68 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.48 -122.58 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -55.01 -57.79 10.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.084 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -171.32 137.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 42' ' ' TRP . 27.7 mt-30 -37.15 -40.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.4 m95 -34.21 133.62 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -122.53 126.67 48.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 133.81 56.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 10.2 p -158.37 175.08 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.1 ttt180 -124.91 115.8 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.481 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 11.3 tp -88.48 115.15 25.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.3 tp -111.05 124.23 51.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.7 tt -108.55 99.13 8.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -128.6 163.22 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 50.8 mtt180 -77.53 142.29 39.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -89.92 109.48 20.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.8 m -88.66 145.84 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 51.74 41.77 29.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.056 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.41 -113.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.536 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.634 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 5.6 pm0 -97.12 -176.05 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -67.33 -63.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.591 ' CZ ' ' SG ' ' A' ' 128' ' ' CYS . 35.2 m-85 -129.96 171.45 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -157.69 125.12 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.869 HD23 HD23 ' A' ' 77' ' ' LEU . 1.7 mm? -93.61 132.59 37.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -115.25 125.9 53.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.693 ' HE2' HD21 ' A' ' 110' ' ' LEU . 5.3 m-85 -107.87 90.46 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -73.73 111.83 9.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.0 t -130.74 107.02 15.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.584 0.706 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' A' ' 67' ' ' LYS . 53.8 Cg_endo -69.76 170.76 56.9 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.347 -0.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.5 Cg_endo -69.76 10.07 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 65' ' ' PRO . 12.9 ttmt -108.48 -25.05 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.55 144.2 8.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -31.49 71.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -118.2 150.94 48.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 140.68 43.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.64 2.226 . . . . 0.0 112.344 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 47.3 tttt -84.57 -45.15 12.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 73' ' ' VAL . 61.7 t -124.88 67.01 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.2 t -77.66 113.53 15.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.703 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 74.3 mt -115.57 133.84 22.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.607 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.79 142.56 48.15 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.869 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -65.63 -24.84 67.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.6 p -71.17 -34.06 70.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.607 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.55 -35.54 76.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.479 HD13 HG12 ' A' ' 102' ' ' VAL . 49.7 mm -57.59 130.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.6 pt -120.67 -33.5 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -149.69 120.34 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 83' ' ' VAL . 2.4 p -116.5 101.97 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -96.21 155.65 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.446 ' C ' ' HE3' ' A' ' 87' ' ' MET . 38.1 p -116.32 32.77 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.6 p -131.65 119.52 21.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.59 ' CE ' HG23 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -108.25 156.59 38.2 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.832 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -174.48 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.5 81.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -134.99 -60.32 0.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.483 ' CG ' ' H ' ' A' ' 93' ' ' GLU . 2.0 ptp -87.49 165.07 32.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 91' ' ' MET . 54.0 Cg_endo -69.79 20.35 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.655 2.237 . . . . 0.0 112.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' H ' ' CG ' ' A' ' 91' ' ' MET . 8.9 tt0 70.14 54.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -83.49 134.11 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -82.55 29.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.84 55.13 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.403 ' O ' ' HD2' ' A' ' 118' ' ' LYS . 17.9 p -145.88 168.23 21.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 19.9 p90 -170.35 130.15 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.782 HG22 HG12 ' A' ' 109' ' ' ILE . 12.1 t -93.68 139.91 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -113.1 110.57 20.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.36 101.07 12.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.479 HG12 HD13 ' A' ' 80' ' ' ILE . 3.7 m -75.56 176.98 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -73.44 -38.05 65.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.44 -25.83 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 102.43 61.3 0.73 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.65 126.24 16.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -98.05 127.08 43.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.703 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 60.8 m-85 -115.86 100.13 7.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.782 HG12 HG22 ' A' ' 99' ' ' VAL . 63.1 mt -81.13 112.97 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.693 HD21 ' HE2' ' A' ' 62' ' ' PHE . 10.3 mp -111.83 145.28 39.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.594 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 32.8 tt0 -119.33 114.77 22.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.675 HG21 ' HA ' ' A' ' 118' ' ' LYS . 43.7 p -83.34 -176.28 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.33 -60.43 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -133.26 172.19 13.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.5 p -61.28 -26.13 67.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.18 -31.51 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -80.94 -35.0 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.675 ' HA ' HG21 ' A' ' 112' ' ' THR . 14.1 ttpt -62.11 -64.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -42.12 -43.44 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 4.8 t -54.6 -51.75 64.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -56.84 -53.77 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.4 t -50.17 -37.11 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.14 -47.9 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.645 ' HB3' HD13 ' A' ' 49' ' ' LEU . 2.9 m-20 -57.0 -36.85 70.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.693 HG23 HD21 ' A' ' 77' ' ' LEU . 45.7 mt -79.18 -58.82 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.474 ' HA ' HG12 ' A' ' 129' ' ' VAL . 20.0 mt-30 -55.16 -33.72 63.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -69.86 -25.8 75.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.591 ' SG ' ' CZ ' ' A' ' 58' ' ' PHE . 49.5 m -89.42 -51.93 5.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 126' ' ' GLN . 12.7 p -49.78 -40.77 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 131' ' ' SER . 6.8 m-20 -174.79 132.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.2 t -31.17 101.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -127.79 -120.2 2.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 134' ' ' SER . 54.3 Cg_endo -69.75 2.83 3.18 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.692 2.262 . . . . 0.0 112.399 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 133' ' ' PRO . 93.3 p -33.62 129.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 134' ' ' SER . 1.9 m -37.49 -46.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.823 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -164.8 168.51 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.373 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 t -54.77 163.89 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.72 -141.67 4.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -90.82 168.34 11.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.7 m -89.51 -50.26 6.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.56 145.98 10.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -161.01 166.15 28.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mt -113.31 102.53 10.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.72 -49.85 69.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.94 41.3 17.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -155.53 157.95 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.0 t -113.63 90.36 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -127.0 83.07 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.12 144.64 29.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.2 p -174.47 137.01 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.69 -56.89 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.9 mt -69.73 128.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -91.59 -54.59 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.535 ' HD2' ' CE2' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -155.56 150.71 26.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 12.0 tm-20 -153.21 142.8 21.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.05 162.7 35.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HB2' ' HE ' ' A' ' 46' ' ' ARG . . . -105.94 99.5 9.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.575 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -134.24 173.92 11.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.06 142.78 26.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -130.36 157.51 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.54 ' HE2' ' HG3' ' A' ' 41' ' ' GLN . 9.2 ptp -152.0 162.89 40.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.4 t -122.81 126.71 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.84 104.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -170.37 165.91 8.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -99.88 169.82 8.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -155.36 173.45 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.05 -63.14 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -86.21 -54.5 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.19 -158.44 23.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -177.76 2.03 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.619 2.213 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.9 -123.47 1.04 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.86 -74.35 0.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.3 m -83.0 152.65 25.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.337 . . . . 0.0 111.145 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.78 145.51 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.54 ' HG3' ' HE2' ' A' ' 27' ' ' MET . 14.3 pt20 -42.17 -36.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 97.7 m95 -34.16 134.36 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -119.47 121.15 38.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' HG13 ' A' ' 64' ' ' VAL . 30.2 mtmt -55.55 131.04 45.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.593 ' CB ' HG22 ' A' ' 64' ' ' VAL . 16.7 p -157.15 170.18 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.455 ' HE ' ' HB2' ' A' ' 23' ' ' ALA . 27.6 ttm180 -122.61 116.79 24.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.704 HD11 HD13 ' A' ' 60' ' ' LEU . 36.5 tp -84.72 126.23 33.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.0 tp -129.96 121.74 27.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' HG ' HD21 ' A' ' 60' ' ' LEU . 2.8 tt -107.35 102.49 11.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -121.72 150.61 41.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.549 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 1.5 ptm85 -71.06 148.53 47.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' CB ' ' HB3' ' A' ' 56' ' ' GLU . . . -88.34 165.66 14.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 54' ' ' ALA . 32.8 m -78.41 163.75 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -33.04 110.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 137.68 -58.28 0.64 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 4.2 tp10 -104.67 159.19 15.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -73.01 -73.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 27.8 m-85 -136.42 175.98 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -151.39 124.5 8.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.704 HD13 HD11 ' A' ' 47' ' ' LEU . 1.1 mt -84.24 159.07 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -143.5 110.44 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.6 m-85 -101.93 88.35 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -71.67 116.59 12.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.593 HG22 ' CB ' ' A' ' 45' ' ' CYS . 2.3 t -134.97 109.79 10.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 169.98 60.67 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.293 -0.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.0 Cg_endo -69.8 4.6 2.12 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -99.43 -23.06 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.43 147.61 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -73.68 -34.64 64.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -108.54 148.84 38.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.558 0.694 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.413 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 54.0 Cg_endo -69.76 136.54 33.26 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.425 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 25.9 tttp -80.19 -39.39 29.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.535 ' O ' HG12 ' A' ' 73' ' ' VAL . 47.2 t -127.65 59.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 38.4 p -67.94 103.13 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.769 HG21 HG11 ' A' ' 102' ' ' VAL . 42.2 mt -108.11 132.83 20.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 75' ' ' ILE . 53.6 Cg_endo -69.77 143.06 49.59 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.608 HD21 HG23 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -60.68 -35.17 75.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.5 p -56.28 -30.8 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -63.22 -41.21 99.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.9 mm -57.73 127.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.87 -31.4 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -152.84 143.23 22.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.508 HG11 ' CG ' ' A' ' 126' ' ' GLN . 2.4 p -128.77 116.1 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -89.88 111.01 21.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.698 HG22 HG21 ' A' ' 122' ' ' VAL . 25.7 p -86.86 37.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t -152.07 132.96 14.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.543 ' CE ' HG23 ' A' ' 99' ' ' VAL . 20.9 mmt -106.01 152.91 40.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -162.91 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.386 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -68.09 70.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -124.72 -66.05 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -86.11 140.47 34.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.552 0.691 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -54.03 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 95' ' ' ASP . 5.0 mm-40 -134.98 -42.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 93' ' ' GLU . 5.6 mptt -30.68 92.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 93' ' ' GLU . 2.0 m-20 -90.86 32.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.48 ' HB3' ' C ' ' A' ' 114' ' ' ASP . 0.4 OUTLIER -111.74 59.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.2 p -147.66 140.82 25.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.9 p90 -144.49 142.89 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.77 HG22 HG12 ' A' ' 109' ' ' ILE . 83.9 t -100.93 137.64 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 mt -113.02 101.7 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -89.75 96.92 10.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.769 HG11 HG21 ' A' ' 75' ' ' ILE . 6.0 m -75.86 172.48 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 79' ' ' ALA . 5.8 pt-20 -65.11 -25.0 67.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -85.46 32.09 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.43 61.8 2.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.496 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -140.71 121.16 14.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.541 ' HB3' HG13 ' A' ' 99' ' ' VAL . 29.4 mt-10 -95.99 136.44 36.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 40.7 m-85 -125.33 98.72 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.77 HG12 HG22 ' A' ' 99' ' ' VAL . 70.6 mt -78.83 114.84 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.8 mp -109.96 137.58 47.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.573 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 61.2 tt0 -110.85 104.54 13.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.575 HG22 HD13 ' A' ' 24' ' ' LEU . 70.7 p -82.64 -173.52 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.403 ' HB ' ' HG3' ' A' ' 117' ' ' GLN . 64.7 mt -62.74 -69.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.48 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 3.8 t70 -130.69 -177.58 4.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 95.8 p -57.95 -33.55 68.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -63.17 -57.24 11.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.403 ' HG3' ' HB ' ' A' ' 113' ' ' ILE . 8.3 mm100 -52.12 -46.29 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -58.49 -64.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -44.38 -41.77 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 t -61.29 -49.21 77.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 47' ' ' LEU . 26.6 m95 -52.0 -60.86 2.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.698 HG21 HG22 ' A' ' 85' ' ' THR . 97.8 t -42.67 -39.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.75 -49.97 66.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.36 -43.25 83.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.608 HG23 HD21 ' A' ' 77' ' ' LEU . 75.4 mt -67.96 -68.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.651 ' O ' HG12 ' A' ' 129' ' ' VAL . 28.8 mm-40 -49.49 -50.02 43.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -47.8 -20.51 1.22 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 58' ' ' PHE . 54.8 m -98.29 -41.42 7.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 126' ' ' GLN . 1.6 p -38.9 -31.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 131' ' ' SER . 16.8 m-20 -169.42 -175.0 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 130' ' ' ASP . 38.6 p -34.65 98.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -118.02 -94.87 1.72 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 151.8 69.09 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.731 2.288 . . . . 0.0 112.339 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 86.3 p -114.99 -19.94 10.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.9 t -68.2 123.39 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.813 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' GLY . 32.6 p 35.26 42.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 t -97.15 -56.74 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.53 132.71 13.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -116.5 42.17 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m 46.35 42.12 10.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.72 -143.44 3.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 58.19 42.0 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 tp -87.25 112.9 22.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.99 142.13 30.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.59 135.25 38.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -95.23 86.38 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 p -149.56 141.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.96 109.99 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.7 mt -110.37 154.06 24.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 16' ' ' VAL . 12.1 p -43.77 123.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.14 -58.41 4.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.89 129.33 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.6 ' CG ' HD22 ' A' ' 49' ' ' LEU . 29.2 mm100 -79.17 -58.4 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -148.66 150.16 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -149.77 124.15 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.69 177.78 32.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.45 105.82 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.825 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -134.96 173.55 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 mtm-85 -95.34 138.19 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -127.73 160.79 30.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.619 ' HE2' ' HB3' ' A' ' 41' ' ' GLN . 6.5 ptp -158.27 157.96 33.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 108' ' ' TYR . 99.4 t -119.1 134.03 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.18 101.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -159.09 166.34 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.53 161.18 14.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -126.22 -49.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 68.28 43.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 m -109.97 -60.58 1.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.9 -164.08 33.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.4 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.52 108.7 0.28 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.78 -72.53 0.54 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.4 p -50.87 159.18 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 111.119 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -82.05 129.84 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.619 ' HB3' ' HE2' ' A' ' 27' ' ' MET . 7.9 tm0? -34.33 -43.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' GLN . 97.9 m95 -33.11 136.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -126.72 125.4 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -57.66 131.33 49.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.472 ' CB ' HG22 ' A' ' 64' ' ' VAL . 21.9 p -155.17 169.53 23.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 12.2 ttp180 -119.47 115.71 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' HB3' ' CZ2' ' A' ' 121' ' ' TRP . 11.0 tp -84.42 119.48 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 tp -121.73 121.58 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' A' ' 124' ' ' ASP . 4.1 tt -113.3 98.75 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -116.42 156.92 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 24.4 ptt180 -81.0 141.86 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -93.19 157.0 16.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.53 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 34.6 m -128.62 140.4 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 53' ' ' VAL . . . 73.09 42.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 56' ' ' GLU . . . 146.84 -126.05 2.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -35.55 153.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.339 . . . . 0.0 110.87 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -78.95 -43.97 23.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 26.3 m-85 -145.26 164.49 31.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -136.52 130.81 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.428 HD23 HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -101.63 132.47 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -122.85 137.2 55.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 3.5 m-85 -120.22 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -71.44 116.1 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.5 t -134.54 106.41 10.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.7 Cg_endo -69.8 170.16 60.02 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.348 -0.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.74 2.71 3.27 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.0 -27.0 14.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.03 149.17 19.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.0 m -76.02 -34.02 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -107.82 140.26 21.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.06 39.52 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -81.61 -46.2 14.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.48 ' O ' HG12 ' A' ' 73' ' ' VAL . 45.4 t -118.31 62.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.073 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 t -70.4 112.01 6.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.598 HG21 HG11 ' A' ' 102' ' ' VAL . 55.1 mt -118.78 126.91 26.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.637 0.732 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.07 32.09 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -45.57 -38.71 6.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.1 p -54.5 -38.36 66.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.63 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.401 HD13 HG12 ' A' ' 102' ' ' VAL . 44.9 mm -58.65 134.66 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 pt -131.27 -30.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -153.05 137.66 16.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.806 HG22 HG23 ' A' ' 85' ' ' THR . 7.3 p -123.94 109.29 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -43.82 -51.44 7.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.806 HG23 HG22 ' A' ' 83' ' ' VAL . 1.6 p 50.93 30.43 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.1 m -157.62 133.0 8.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 31.1 mmt -107.87 139.51 20.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.721 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -172.92 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.39 61.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -122.3 -59.29 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.407 ' CG ' ' HB2' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -72.11 138.7 81.91 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.505 0.669 . . . . 0.0 110.902 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HG2' ' H ' ' A' ' 93' ' ' GLU . 53.5 Cg_endo -69.75 -63.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.26 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' H ' ' HG2' ' A' ' 92' ' ' PRO . 13.8 tt0 -134.99 8.98 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.466 ' N ' ' HE3' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -73.86 64.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.98 33.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.451 ' HA ' ' CD ' ' A' ' 118' ' ' LYS . 1.2 p-10 -124.18 43.95 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 44.0 p -134.84 151.55 51.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 11.7 p90 -151.23 137.06 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 83' ' ' VAL . 37.4 t -93.69 140.98 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.7 mt -115.11 106.19 13.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.09 97.82 10.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.598 HG11 HG21 ' A' ' 75' ' ' ILE . 5.8 m -76.65 176.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 3.8 pt-20 -67.34 -27.28 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 56.4 t-20 -84.21 32.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.87 61.33 1.96 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.495 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -136.99 122.09 19.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.724 0.297 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 18.8 mt-10 -96.49 133.62 40.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.508 ' CD2' HG22 ' A' ' 28' ' ' VAL . 48.1 m-85 -123.49 98.47 5.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.567 HG12 HG22 ' A' ' 99' ' ' VAL . 46.3 mt -78.21 112.57 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mp -106.47 144.04 33.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.432 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 42.2 tt0 -120.5 105.4 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.825 HG22 HD13 ' A' ' 24' ' ' LEU . 81.6 p -88.13 -179.1 6.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.489 ' CG1' ' HG3' ' A' ' 117' ' ' GLN . 39.0 mm -49.66 -66.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 115' ' ' SER . 43.1 m-20 -157.9 174.79 14.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 114' ' ' ASP . 20.6 p -33.09 -38.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.821 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.621 ' H ' HD12 ' A' ' 116' ' ' LEU . 4.2 mp -56.39 -66.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.489 ' HG3' ' CG1' ' A' ' 113' ' ' ILE . 6.8 mm100 -56.76 -46.05 81.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.451 ' CD ' ' HA ' ' A' ' 96' ' ' ASN . 5.4 tttm -53.4 -68.3 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -45.54 -41.76 10.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.7 t -56.5 -46.5 80.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.486 ' CZ2' ' HB3' ' A' ' 47' ' ' LEU . 53.7 m95 -63.29 -57.46 10.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.736 HG13 HG21 ' A' ' 85' ' ' THR . 96.7 t -36.4 -41.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.23 -49.77 32.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.601 ' HB3' HD13 ' A' ' 49' ' ' LEU . 6.6 m-20 -49.99 -40.48 44.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mt -81.12 -64.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.422 ' O ' HG12 ' A' ' 129' ' ' VAL . 10.1 mt-30 -48.48 -27.98 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.34 -29.43 56.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' VAL . 60.4 m -89.42 -48.82 7.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 126' ' ' GLN . 9.8 p -35.33 -35.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 128' ' ' CYS . 38.5 p30 -162.14 -175.03 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.1 t -50.76 96.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -145.12 146.32 16.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 91.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.6 m -101.17 83.04 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 60.1 p -172.43 132.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -125.96 176.9 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.819 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -151.3 136.23 17.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.94 -82.18 0.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 6' ' ' SER . 47.9 p 46.48 42.21 10.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 5' ' ' SER . 62.0 m -35.02 -44.85 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.38 160.21 18.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -91.61 -60.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 tp 68.23 41.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.62 141.37 49.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.75 -59.72 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -82.85 102.41 11.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 p -133.24 142.73 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -120.6 114.9 22.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 15' ' ' LEU . 1.2 pt? -100.38 174.5 6.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 p -139.04 147.09 25.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.7 -56.99 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.6 mp -62.23 107.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.739 ' HB2' HD22 ' A' ' 49' ' ' LEU . 12.0 mm-40 -75.39 -45.29 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . 5.4 tpm_? -163.04 138.15 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.781 ' OE2' HD13 ' A' ' 48' ' ' LEU . 18.8 tt0 -148.38 138.0 22.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.13 160.2 33.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.53 104.53 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' CYS . 0.1 OUTLIER -137.29 172.31 13.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -94.46 154.73 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -144.73 149.49 35.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.2 ptp -146.62 152.73 39.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.9 t -113.98 128.09 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.64 102.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -144.49 173.39 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.42 129.84 50.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.87 -176.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.62 -40.11 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 p -82.26 106.1 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.73 -157.76 46.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -44.51 2.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.246 . . . . 0.0 112.335 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.01 -175.61 22.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.76 60.95 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.1 p -102.56 -44.45 5.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.54 42.83 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.37 121.33 27.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.491 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 60.1 m95 -76.65 160.02 29.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -129.61 129.82 44.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 64' ' ' VAL . 1.9 mppt? -62.14 130.41 45.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.43 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 5.0 p -155.96 175.91 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 32.2 ttp180 -130.79 114.18 15.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.703 HD23 ' CE3' ' A' ' 121' ' ' TRP . 12.9 tp -84.23 117.32 23.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.781 HD13 ' OE2' ' A' ' 21' ' ' GLU . 19.6 tp -124.06 115.17 20.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.739 HD22 ' HB2' ' A' ' 19' ' ' GLN . 5.1 tt -100.61 97.7 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HG3' HD11 ' A' ' 48' ' ' LEU . 12.8 mtp180 -112.39 159.91 18.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -89.77 135.98 33.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -99.06 151.41 20.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.41 153.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.19 43.41 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 161.48 -100.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 5.1 tp10 -87.7 153.54 21.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -71.78 -57.96 3.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.475 ' C ' ' HB2' ' A' ' 77' ' ' LEU . 20.4 m-85 -128.51 166.51 18.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -157.97 129.91 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.846 HD23 HD23 ' A' ' 77' ' ' LEU . 1.6 mm? -94.12 145.25 24.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -129.12 141.94 51.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.708 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.6 m-85 -123.43 78.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -61.48 113.65 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 62' ' ' PHE . 1.7 t -133.16 104.94 12.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.4 Cg_endo -69.8 169.97 60.92 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.325 0.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.2 Cg_endo -69.71 0.48 5.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.377 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.71 -23.79 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.18 145.3 37.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -71.74 -31.65 66.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 14.3 mtp-105 -112.96 142.34 27.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.83 67.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' CE ' HG23 ' A' ' 73' ' ' VAL . 25.7 ttpt -90.17 -36.85 14.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.564 ' O ' HG12 ' A' ' 73' ' ' VAL . 60.4 t -128.16 59.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.0 p -66.78 100.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.514 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 65.8 mt -103.51 130.29 23.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 150.0 68.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.382 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.846 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -70.01 -7.04 37.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.441 ' HB2' ' CD ' ' A' ' 56' ' ' GLU . 5.3 t -89.23 -24.34 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.59 76.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.735 HD13 HG12 ' A' ' 102' ' ' VAL . 48.3 mm -58.11 135.99 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.22 -32.46 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -156.68 132.24 9.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.8 p -113.39 97.08 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -70.86 141.0 51.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.0 p -113.3 -15.72 12.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.471 ' O ' ' CE ' ' A' ' 87' ' ' MET . 13.1 t -88.97 168.4 12.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -132.69 166.4 29.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.719 . . . . 0.0 110.864 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 90' ' ' GLU . 53.8 Cg_endo -69.76 -163.15 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.237 . . . . 0.0 112.344 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 89' ' ' LEU . 3.4 mm? -77.98 8.82 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.5 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 2.3 pt-20 -116.06 39.73 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.428 ' CB ' ' HB3' ' A' ' 87' ' ' MET . 1.3 tpt -154.41 136.64 9.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.514 0.673 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.419 ' HD2' ' SD ' ' A' ' 91' ' ' MET . 53.9 Cg_endo -69.77 3.06 3.0 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 64.12 54.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 146.46 24.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -89.83 41.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 112' ' ' THR . 22.6 t30 -129.09 18.32 6.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.37 161.7 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 18.4 p90 -164.92 143.29 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.481 HG13 ' HB3' ' A' ' 107' ' ' GLU . 59.9 t -101.55 132.04 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.614 HD23 HG23 ' A' ' 83' ' ' VAL . 16.4 mt -105.89 106.38 16.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -95.82 109.07 21.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.735 HG12 HD13 ' A' ' 80' ' ' ILE . 7.6 m -86.79 175.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.88 -19.06 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -91.42 30.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.35 58.37 3.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -136.08 122.14 20.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.481 ' HB3' HG13 ' A' ' 99' ' ' VAL . 39.0 mt-10 -95.91 141.97 28.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.514 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 47.1 m-85 -129.51 97.99 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.464 ' C ' HD12 ' A' ' 110' ' ' LEU . 48.9 mt -78.13 111.88 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mp -113.59 142.58 45.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.491 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 15.3 tt0 -120.21 136.46 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.502 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 36.5 p -109.98 175.06 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.0 mt -56.21 -70.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -127.21 173.02 10.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.1 m -56.11 -28.67 58.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 116' ' ' LEU . 1.6 pp -62.96 -41.92 99.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -72.6 -42.1 64.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -58.29 -66.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 11.3 t60 -44.94 -33.5 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -65.21 -51.78 58.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.703 ' CE3' HD23 ' A' ' 47' ' ' LEU . 46.7 m95 -57.2 -58.07 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.4 t -44.32 -38.78 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.21 -44.99 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.417 ' CG ' ' HB2' ' A' ' 20' ' ' ARG . 9.8 m-20 -58.89 -38.46 78.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.0 mt -79.14 -54.64 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -57.57 -34.12 68.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -68.73 -24.76 75.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 85.3 m -95.19 -53.87 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.498 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 5.1 p -38.1 -36.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -134.97 -172.49 3.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.4 t -115.55 -46.65 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.86 -108.22 0.68 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 157.89 58.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.731 2.287 . . . . 0.0 112.366 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.2 t -147.38 140.86 25.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.9 m -99.22 91.82 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -136.28 133.93 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -169.18 165.62 10.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.48 48.81 0.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.444 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -135.3 147.06 49.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 p -154.86 156.38 36.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.49 -170.07 43.14 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -133.23 120.72 21.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -57.25 133.71 55.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 11' ' ' ALA . . . -94.98 90.29 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' ALA . . . -34.23 -49.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -107.8 176.17 5.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 p -137.5 133.93 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -127.07 41.53 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -160.65 171.97 17.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.5 t -110.26 138.77 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.44 -60.06 1.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.4 mp -52.65 114.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' HB2' HD22 ' A' ' 49' ' ' LEU . 18.6 mm100 -76.58 -45.86 28.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -164.44 157.73 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -154.12 138.91 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.97 178.22 37.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.87 105.07 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.88 173.39 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.49 146.66 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -132.96 149.09 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.447 ' CG ' ' HB ' ' A' ' 109' ' ' ILE . 8.0 ptp -145.29 164.91 29.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 108' ' ' TYR . 97.2 t -124.28 127.64 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.98 102.05 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -146.67 150.58 35.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -109.06 101.41 10.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -153.42 147.68 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.26 93.61 9.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.6 t -88.4 -55.93 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.64 -163.2 22.77 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 165.67 30.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.35 -151.43 19.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.59 165.1 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.466 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -60.75 -54.03 50.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' HB1' ' HD1' ' A' ' 42' ' ' TRP . . . -119.6 127.98 53.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 42' ' ' TRP . 56.4 tp60 -37.52 -36.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' GLN . 98.9 m95 -34.46 133.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -119.2 126.51 51.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -61.62 130.76 47.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.73 ' CB ' HG22 ' A' ' 64' ' ' VAL . 14.2 p -158.35 172.2 18.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.45 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 35.2 ttt85 -119.19 138.44 52.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.613 HD23 ' CE3' ' A' ' 121' ' ' TRP . 11.7 tp -107.38 112.64 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.5 tp -116.16 126.28 53.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 124' ' ' ASP . 4.0 tt -117.18 107.26 14.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -132.78 160.12 37.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 41.6 mtm180 -67.63 139.54 56.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 166.21 19.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 54' ' ' ALA . 34.8 m -75.92 159.26 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -35.5 112.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.08 -43.45 1.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -122.49 171.25 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.5 mmt-85 -84.69 -67.68 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 15.8 m-85 -135.81 178.91 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.437 ' CD ' ' OE2' ' A' ' 61' ' ' GLU . 20.3 ttm180 -158.19 122.7 4.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.898 HD23 HD23 ' A' ' 77' ' ' LEU . 1.6 mm? -90.22 147.71 23.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' OE2' ' CD ' ' A' ' 59' ' ' ARG . 15.3 mp0 -137.46 133.37 34.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.72 ' CE2' HD21 ' A' ' 110' ' ' LEU . 2.1 m-85 -112.47 98.56 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.92 101.68 6.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.73 HG22 ' CB ' ' A' ' 45' ' ' CYS . 3.2 t -121.94 106.35 36.7 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.597 0.713 . . . . 0.0 111.158 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.75 170.38 58.7 Favored 'Cis proline' 0 C--O 1.231 0.132 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.326 -0.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.45 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.77 4.85 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -109.55 -15.25 14.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.64 149.64 13.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -68.14 -33.65 74.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.411 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -124.65 152.47 69.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.613 0.72 . . . . 0.0 110.858 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.47 45.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -85.16 -45.11 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 73' ' ' VAL . 44.1 t -118.18 63.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.3 t -75.11 113.87 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.67 HG21 HG11 ' A' ' 102' ' ' VAL . 76.1 mt -121.36 134.68 24.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.67 0.748 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.682 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 54.2 Cg_endo -69.69 150.72 69.01 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.402 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.898 HD23 HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.37 -35.29 79.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -62.5 -32.32 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.682 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.45 -42.64 96.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.067 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.7 125.23 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.09 -34.54 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -141.78 128.77 20.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 99' ' ' VAL . 2.8 p -124.42 111.78 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -90.75 164.13 14.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.455 ' C ' ' HE3' ' A' ' 87' ' ' MET . 82.1 p -126.91 9.14 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 p -140.45 111.01 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.514 ' CE ' HG23 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -99.64 151.15 37.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.7 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 89' ' ' LEU . 53.9 Cg_endo -69.79 -13.9 35.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.371 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.9 HD13 ' H ' ' A' ' 90' ' ' GLU . 0.5 OUTLIER -41.72 165.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.9 ' H ' HD13 ' A' ' 89' ' ' LEU . 17.0 mt-10 -72.93 9.39 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.515 ' C ' ' O ' ' A' ' 90' ' ' GLU . 11.4 tpp -28.09 135.37 0.14 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.547 0.689 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 9.57 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.389 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 75.0 54.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' HB3' ' OD1' ' A' ' 96' ' ' ASN . 21.6 mmtm -93.56 -39.32 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 74.75 50.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.524 HD22 HG23 ' A' ' 97' ' ' THR . 0.3 OUTLIER -134.82 27.88 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 111' ' ' GLU . 61.6 p -130.7 168.5 17.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -161.57 135.28 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.627 HG22 HG12 ' A' ' 109' ' ' ILE . 88.6 t -89.47 152.26 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 106' ' ' ALA . 26.0 mt -127.71 96.64 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -89.98 100.33 13.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.67 HG11 HG21 ' A' ' 75' ' ' ILE . 3.4 m -76.98 159.51 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -48.29 -40.93 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -59.1 -28.18 66.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.68 50.93 1.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 100' ' ' LEU . . . -130.77 123.3 28.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.508 ' HB3' HG13 ' A' ' 99' ' ' VAL . 55.9 mt-10 -95.01 130.71 41.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.497 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 71.8 m-85 -119.79 98.87 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.627 HG12 HG22 ' A' ' 99' ' ' VAL . 73.3 mt -77.27 115.87 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.72 HD21 ' CE2' ' A' ' 62' ' ' PHE . 7.3 mp -111.77 140.21 46.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.627 ' HA ' HG22 ' A' ' 97' ' ' THR . 61.5 tt0 -111.31 112.58 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.405 HG21 ' HA ' ' A' ' 118' ' ' LYS . 42.8 p -85.53 172.29 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.7 mt -54.48 -56.97 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -146.47 170.25 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.8 p -52.04 -22.8 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.502 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 5.2 mp -72.56 -52.25 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -61.8 -32.87 73.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.405 ' HA ' HG21 ' A' ' 112' ' ' THR . 12.2 ttpt -59.73 -65.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -46.01 -41.73 12.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.445 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 1.6 m -56.29 -52.83 63.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.865 ' O ' HD12 ' A' ' 125' ' ' ILE . 38.6 m95 -58.96 -62.85 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.946 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.5 t -37.69 -38.52 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.05 -41.53 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.82 ' HB3' HD13 ' A' ' 49' ' ' LEU . 40.0 m-20 -60.24 -38.46 83.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.865 HD12 ' O ' ' A' ' 121' ' ' TRP . 4.3 mp -80.46 -53.27 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -58.28 -37.38 74.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -66.4 -23.79 71.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 130' ' ' ASP . 78.7 m -94.93 -57.74 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.457 ' O ' ' CG ' ' A' ' 130' ' ' ASP . 5.7 p -34.88 -33.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.485 ' O ' ' C ' ' A' ' 131' ' ' SER . 7.0 m-20 -171.3 131.63 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.1 t -31.46 98.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 130' ' ' ASP . . . -124.57 172.63 16.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 86.22 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.7 t -174.28 112.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.3 t -146.16 155.78 42.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -135.32 135.68 40.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 t -77.92 -48.59 15.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.71 106.35 0.29 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -111.48 -44.91 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -52.62 -46.33 67.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.16 165.01 7.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 m120 57.63 44.86 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.88 71.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.87 110.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.97 137.27 54.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.19 42.75 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.6 t -87.94 111.09 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -102.28 101.13 11.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -150.04 170.32 19.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 16' ' ' VAL . 12.1 p -67.34 129.63 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -44.52 -60.2 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 18' ' ' ILE . 3.8 mp -60.9 103.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.601 ' HG2' ' CE1' ' A' ' 58' ' ' PHE . 13.8 mm100 -71.63 -40.11 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.76 147.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -152.55 145.41 24.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.96 168.46 39.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.13 102.11 11.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.599 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -137.11 173.33 11.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -95.12 149.75 20.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -137.89 159.7 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.416 ' CE ' ' HB1' ' A' ' 40' ' ' ALA . 4.8 ptp -156.02 162.45 40.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.94 127.04 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.14 103.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -154.12 168.38 26.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.82 143.99 27.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.66 169.2 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.95 83.46 6.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 t -119.41 81.9 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.79 -157.59 52.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.29 6.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.84 -160.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.47 40.51 0.57 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 t -151.56 177.72 10.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.741 0.305 . . . . 0.0 111.174 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.416 ' HB1' ' CE ' ' A' ' 27' ' ' MET . . . -98.01 93.94 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -99.97 123.8 44.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 72.6 m95 -78.04 146.08 35.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -123.39 129.31 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -59.16 130.52 47.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' LEU . 14.8 p -153.89 174.73 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.2 ttt180 -126.59 113.7 17.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD11 HD12 ' A' ' 60' ' ' LEU . 14.4 tp -83.5 115.31 22.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.759 HD11 ' HD3' ' A' ' 50' ' ' ARG . 15.7 tp -123.64 125.71 45.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.777 HD13 ' OD2' ' A' ' 124' ' ' ASP . 4.3 tt -109.49 103.94 12.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.759 ' HD3' HD11 ' A' ' 48' ' ' LEU . 5.6 mmm180 -116.9 151.21 37.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.585 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 26.8 ptt180 -65.91 153.17 42.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.37 166.38 11.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' ALA . 32.1 m -81.74 162.16 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -34.28 108.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.78 -40.46 1.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -127.35 169.23 13.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -80.35 -74.7 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.601 ' CE1' ' HG2' ' A' ' 19' ' ' GLN . 12.2 m-85 -129.67 -173.3 2.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -158.02 131.25 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD12 HD11 ' A' ' 47' ' ' LEU . 2.3 mm? -95.7 143.78 26.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.93 132.4 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.449 ' N ' ' CD1' ' A' ' 62' ' ' PHE . 1.9 m-85 -114.69 91.15 3.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -75.48 107.76 7.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 26' ' ' PHE . 2.2 t -128.7 105.72 18.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.703 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.78 170.13 60.06 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.328 -0.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 54.2 Cg_endo -69.71 -0.92 7.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.742 2.295 . . . . 0.0 112.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.43 -24.66 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.16 139.63 56.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -68.71 -32.15 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -107.66 143.12 26.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.455 ' CG ' ' HB3' ' A' ' 74' ' ' SER . 53.9 Cg_endo -69.75 136.87 34.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' CD ' ' HB ' ' A' ' 64' ' ' VAL . 33.9 tttm -76.9 -40.82 46.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 73' ' ' VAL . 88.0 t -127.4 61.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 71' ' ' PRO . 36.5 p -65.61 109.91 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.44 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 82.6 mt -117.22 127.53 26.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.49 67.2 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.591 HD11 ' SG ' ' A' ' 128' ' ' CYS . 0.2 OUTLIER -56.68 -42.8 79.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 m -51.28 -31.25 20.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -60.18 -48.56 81.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.0 mm -58.63 134.08 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 pt -131.63 -31.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -144.72 120.01 10.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 83' ' ' VAL . 2.4 p -116.66 106.24 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -95.16 153.7 17.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.2 p -121.31 28.46 7.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.0 p -130.28 147.66 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.662 ' CE ' HG23 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -134.09 155.13 80.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -169.51 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 89' ' ' LEU . 4.0 mm? -67.69 78.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -132.52 -43.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.96 154.74 44.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -87.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.752 2.301 . . . . 0.0 112.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -134.25 55.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -95.39 91.34 6.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -83.18 31.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.461 ' HB3' ' N ' ' A' ' 115' ' ' SER . 4.2 p-10 -128.28 45.86 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 p -138.59 156.83 47.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 7.6 p90 -162.8 141.01 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.662 HG23 ' CE ' ' A' ' 87' ' ' MET . 93.9 t -97.27 146.38 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.6 mt -120.55 99.77 6.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -90.3 99.56 12.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 102' ' ' VAL . 5.6 m -74.04 -179.24 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 79' ' ' ALA . 3.0 pt-20 -77.25 -18.07 57.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -82.58 -11.17 58.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.3 44.72 5.22 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.13 126.18 43.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.095 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.415 ' HB3' HG13 ' A' ' 99' ' ' VAL . 34.8 mt-10 -98.65 124.86 43.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.44 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 57.5 m-85 -113.73 104.79 12.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.567 HG12 HG22 ' A' ' 99' ' ' VAL . 55.5 mt -85.29 110.18 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 7.0 mp -105.75 144.15 32.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 55.0 tt0 -118.56 103.08 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.599 HG22 HD13 ' A' ' 24' ' ' LEU . 36.0 p -78.69 163.19 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 97.5 mt -42.54 -64.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.435 ' C ' ' HB3' ' A' ' 96' ' ' ASN . 5.8 m-20 -139.13 167.57 21.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.461 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 18.9 p -48.82 -37.53 19.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.86 -40.26 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -74.58 -41.34 60.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.46 ' HZ1' ' CG ' ' A' ' 119' ' ' HIS . 5.9 ttpp -53.07 -69.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.46 ' CG ' ' HZ1' ' A' ' 118' ' ' LYS . 24.8 m-70 -42.35 -42.71 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -55.42 -44.35 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -66.12 -54.77 21.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 72.8 t -41.83 -42.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.19 -40.82 74.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.777 ' OD2' HD13 ' A' ' 49' ' ' LEU . 1.7 t70 -60.55 -30.95 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.3 mt -94.99 -34.17 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.422 ' HA ' HG12 ' A' ' 129' ' ' VAL . 12.5 mt-30 -73.36 -27.27 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 131' ' ' SER . . . -74.74 -28.14 63.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.455 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.591 ' SG ' HD11 ' A' ' 77' ' ' LEU . 21.3 p -93.16 -50.04 5.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.371 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 130' ' ' ASP . 10.5 p -37.5 -45.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.494 ' N ' HG13 ' A' ' 129' ' ' VAL . 49.2 t0 -92.06 -61.21 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 127' ' ' GLY . 1.8 m -169.31 106.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 131' ' ' SER . . . -35.67 123.47 0.67 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.05 15.47 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.308 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 60.3 p -77.53 174.17 11.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.9 t -137.64 147.46 44.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.452 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -150.72 165.4 33.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 p -93.56 150.21 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.41 102.77 0.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -83.34 47.58 1.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.898 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -43.14 -41.54 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.1 112.08 0.94 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -156.98 148.89 22.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -173.59 161.9 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 9' ' ' LEU . . . 70.58 37.28 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.91 -62.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 mptt 55.66 41.2 30.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -111.4 138.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -140.84 105.04 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -157.78 143.22 17.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.6 t -52.09 124.88 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -64.95 -49.79 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.0 mt -74.06 104.14 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -73.95 -50.28 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.54 140.78 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -150.9 129.08 11.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.67 177.3 38.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.2 114.65 27.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.947 HD13 HG22 ' A' ' 112' ' ' THR . 0.2 OUTLIER -144.05 173.61 11.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -98.25 140.84 31.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -129.56 159.58 35.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.506 ' HE2' ' HB3' ' A' ' 41' ' ' GLN . 5.5 ptp -154.26 159.66 41.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.48 HG22 ' CD2' ' A' ' 108' ' ' TYR . 93.9 t -122.85 126.47 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.86 101.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -147.08 156.55 43.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.68 142.22 47.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.14 170.43 13.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.63 80.31 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.7 m -86.36 -57.12 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.803 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.1 -156.83 23.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 85.71 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.32 159.24 53.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -121.73 -81.39 0.6 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.2 p -63.26 173.28 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.37 149.28 44.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.506 ' HB3' ' HE2' ' A' ' 27' ' ' MET . 34.8 tt0 -61.25 -34.78 75.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' GLN . 98.8 m95 -34.58 134.68 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -124.31 126.63 46.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.506 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -57.43 130.44 46.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.583 ' HB2' HG22 ' A' ' 64' ' ' VAL . 1.8 p -158.54 171.86 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.416 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 48.8 ttt180 -124.99 124.36 41.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.529 HD23 ' CE3' ' A' ' 121' ' ' TRP . 13.3 tp -92.91 114.3 26.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD21 ' NE ' ' A' ' 50' ' ' ARG . 36.4 tp -113.85 119.34 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 124' ' ' ASP . 1.8 tt -108.06 99.8 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' NE ' HD21 ' A' ' 48' ' ' LEU . 59.5 mtm180 -126.85 162.81 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 58' ' ' PHE . 8.7 mmt85 -70.44 155.68 40.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -113.1 106.64 14.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.42 147.73 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 56.5 50.71 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.67 -135.99 3.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.597 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 7.3 tp10 -63.48 166.75 6.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -64.58 -60.85 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 9.0 m-85 -126.83 173.49 9.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.451 ' CG ' ' HA ' ' A' ' 76' ' ' PRO . 1.9 ttt85 -158.39 135.57 9.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.516 HD23 ' CD2' ' A' ' 77' ' ' LEU . 1.3 mm? -100.69 141.97 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -126.98 122.85 35.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.565 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.4 m-85 -104.23 83.43 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -67.21 113.2 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.583 HG22 ' HB2' ' A' ' 45' ' ' CYS . 1.4 t -133.0 110.2 12.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.75 170.97 55.82 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.397 -0.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.71 6.16 1.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -108.61 -4.04 17.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.01 149.22 37.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.9 p -76.1 -31.96 58.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -112.82 141.13 24.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 138.44 37.89 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -80.48 -43.16 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 73' ' ' VAL . 46.1 t -122.22 63.6 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.3 p -68.75 101.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.433 HG13 HG12 ' A' ' 73' ' ' VAL . 75.2 mt -106.95 129.12 24.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.575 0.702 . . . . 0.0 111.158 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.579 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 53.3 Cg_endo -69.77 151.41 68.98 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.516 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -65.56 -23.7 66.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.437 ' HB2' ' CD ' ' A' ' 56' ' ' GLU . 30.6 t -73.95 -32.61 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.579 ' HB2' ' HG2' ' A' ' 76' ' ' PRO . . . -60.04 -42.21 93.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.56 HD13 HG12 ' A' ' 102' ' ' VAL . 38.0 mm -59.75 108.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.37 -28.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -156.3 152.39 27.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 83' ' ' VAL . 9.7 p -123.22 96.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -77.31 98.79 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.8 p -82.8 25.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 m -129.38 152.58 48.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.516 ' N ' ' SD ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -147.63 161.05 36.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.542 0.687 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 87' ' ' MET . 53.9 Cg_endo -69.78 -162.97 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.76 57.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -135.0 28.88 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.505 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 5.7 ttm -147.82 142.41 16.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.592 0.711 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.505 ' HD2' ' CG ' ' A' ' 91' ' ' MET . 53.9 Cg_endo -69.76 -57.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' C ' ' CG ' ' A' ' 94' ' ' LYS . 67.4 mm-40 -134.57 -31.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 91' ' ' MET . 2.0 mttp 67.7 37.39 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -34.82 79.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 112' ' ' THR . 0.3 OUTLIER -134.94 66.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.428 HG21 ' SD ' ' A' ' 91' ' ' MET . 1.5 p -143.12 152.42 41.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 5.5 p90 -167.59 146.58 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 107' ' ' GLU . 17.3 t -100.96 144.22 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.473 HD23 HG23 ' A' ' 83' ' ' VAL . 23.6 mt -118.62 109.42 16.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -96.02 110.76 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.56 HG12 HD13 ' A' ' 80' ' ' ILE . 7.5 m -89.44 177.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -26.25 67.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -86.05 29.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.49 60.97 2.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 102' ' ' VAL . . . -136.1 121.81 19.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.731 0.3 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.463 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 16.6 mt-10 -93.62 137.71 32.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.48 ' CD2' HG22 ' A' ' 28' ' ' VAL . 37.8 m-85 -127.33 95.68 4.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.439 HG12 HG22 ' A' ' 99' ' ' VAL . 17.9 mt -76.64 115.12 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.588 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.9 mp -110.85 143.6 41.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -126.27 103.66 7.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.947 HG22 HD13 ' A' ' 24' ' ' LEU . 10.2 p -81.13 175.08 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 98.0 mt -50.24 -74.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -130.26 167.19 18.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.8 t -49.71 -39.22 36.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.7 mt -53.12 -38.89 63.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -83.2 -38.77 21.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 0.4 OUTLIER -65.84 -62.75 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.511 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.0 t60 -42.9 -35.37 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.2 t -69.45 -43.69 72.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.529 ' CE3' HD23 ' A' ' 47' ' ' LEU . 36.9 m95 -54.78 -62.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.648 HG13 HE21 ' A' ' 126' ' ' GLN . 92.9 t -42.29 -37.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.3 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.548 ' HB3' HD13 ' A' ' 49' ' ' LEU . 2.8 m-20 -60.24 -45.37 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mt -70.08 -63.83 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.648 HE21 HG13 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -52.9 -36.35 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.48 ' HA2' ' CB ' ' A' ' 131' ' ' SER . . . -75.51 -13.72 82.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.484 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 33.5 m -99.58 -22.07 15.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 130' ' ' ASP . 12.2 p -89.9 -48.81 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.59 ' N ' HG13 ' A' ' 129' ' ' VAL . 8.0 t70 -131.13 61.87 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.48 ' CB ' ' HA2' ' A' ' 127' ' ' GLY . 0.3 OUTLIER -178.03 138.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 145.47 94.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.525 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 2.74 3.22 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.389 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.1 m -76.11 52.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.0 m -128.11 142.11 51.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 m -155.25 167.36 30.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m -130.26 157.34 42.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.31 167.34 10.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 m -152.28 173.23 15.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -136.38 164.95 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.3 44.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -45.8 -54.35 8.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -172.43 128.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' N ' HD13 ' A' ' 9' ' ' LEU . . . -128.78 78.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -38.83 129.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 108.13 20.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG13 ' HG ' ' A' ' 15' ' ' LEU . 14.5 p -138.44 149.53 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.167 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -57.88 104.16 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' HG ' HG13 ' A' ' 13' ' ' VAL . 26.0 mt -124.63 164.03 20.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.9 149.21 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -40.78 -56.55 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.8 mt -60.39 111.98 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -64.32 -51.9 61.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -172.32 152.61 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' CD ' HD13 ' A' ' 48' ' ' LEU . 64.4 tt0 -146.36 150.55 35.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.27 176.5 42.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.36 108.99 18.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.75 172.84 12.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -94.71 131.87 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.532 ' CZ ' HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -122.93 154.59 38.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.419 ' HE3' ' CD2' ' A' ' 42' ' ' TRP . 8.1 ptp -152.73 163.52 39.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' A' ' 108' ' ' TYR . 98.2 t -126.0 122.65 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.09 102.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -150.04 149.43 30.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.61 103.03 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.43 157.24 45.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.51 86.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.5 p -111.31 -57.67 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.52 -169.72 42.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 178.78 4.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.41 -129.96 3.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.41 -51.86 0.8 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.1 p -107.03 176.95 5.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.364 . . . . 0.0 111.1 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.7 148.53 49.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' TRP . 10.4 mt-30 -72.19 -30.79 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 98.2 m95 -36.69 141.16 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -134.31 133.24 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -61.75 127.6 32.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.422 ' SG ' ' CD1' ' A' ' 26' ' ' PHE . 31.0 p -158.78 176.45 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -126.17 131.78 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.662 HD23 ' CZ3' ' A' ' 121' ' ' TRP . 12.9 tp -101.74 114.52 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD13 ' CD ' ' A' ' 21' ' ' GLU . 32.2 tp -117.35 119.39 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 124' ' ' ASP . 4.4 tt -104.75 116.47 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.421 ' C ' ' CD2' ' A' ' 58' ' ' PHE . 23.9 ptt85 -140.1 147.29 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 10.3 ptt180 -68.02 146.25 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 56' ' ' GLU . . . -98.45 127.62 44.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -102.92 137.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 56.06 44.96 24.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.88 -78.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.661 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 15.7 pt-20 -136.56 178.34 7.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.882 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -63.09 -61.39 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.499 ' CD2' ' CD2' ' A' ' 49' ' ' LEU . 7.9 m-85 -138.27 179.49 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -157.96 126.12 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 77' ' ' LEU . 1.8 mm? -93.94 122.99 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' OE1' HD23 ' A' ' 48' ' ' LEU . 16.5 mt-10 -104.46 134.33 47.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.497 ' CE2' HD21 ' A' ' 110' ' ' LEU . 19.6 m-85 -116.08 99.61 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 71' ' ' PRO . 76.4 m-85 -82.1 114.51 20.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.532 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 1.4 t -136.61 104.41 9.19 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.724 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 53.0 Cg_endo -69.8 172.6 48.37 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 -1.811 . . . . 0.0 112.324 -0.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 65' ' ' PRO . 53.9 Cg_endo -69.76 -28.76 24.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.689 2.259 . . . . 0.0 112.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -87.75 -1.0 57.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.88 -13.77 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 1.6 m 64.01 25.06 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' C ' ' CD2' ' A' ' 63' ' ' PHE . 19.4 mtm180 -169.76 137.86 1.49 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 63' ' ' PHE . 53.1 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -84.14 -41.22 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 73' ' ' VAL . 58.3 t -124.24 62.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.85 107.11 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.774 HD11 ' CZ ' ' A' ' 108' ' ' TYR . 85.1 mt -107.55 128.3 26.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 141.43 45.32 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.49 -47.9 75.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 p -44.37 -32.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 103' ' ' GLU . . . -62.13 -43.83 97.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.484 HD13 HG12 ' A' ' 102' ' ' VAL . 50.6 mm -57.78 135.22 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.3 pt -131.66 -36.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -146.14 124.04 12.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.535 ' CG1' ' CD ' ' A' ' 126' ' ' GLN . 2.1 p -111.58 101.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -67.6 127.94 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.6 p -114.77 44.99 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.1 t -158.67 151.9 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.03 157.14 61.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.712 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -162.67 0.09 OUTLIER 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.739 2.293 . . . . 0.0 112.329 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.89 43.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -125.41 -51.01 1.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.401 ' C ' ' H ' ' A' ' 93' ' ' GLU . 2.8 tpp -61.23 136.87 94.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.51 0.672 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 9.46 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 91' ' ' MET . 22.7 tt0 66.46 54.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -86.51 -20.88 27.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.4 t70 58.97 35.77 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.507 ' HA ' ' CB ' ' A' ' 118' ' ' LYS . 15.0 p-10 -132.26 34.91 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.6 p -148.51 161.27 41.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.3 p90 -162.47 145.56 11.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.707 HG22 HG12 ' A' ' 109' ' ' ILE . 61.9 t -100.81 126.49 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.1 mt -95.11 105.1 17.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 98.92 11.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.484 HG12 HD13 ' A' ' 80' ' ' ILE . 12.6 m -76.72 174.19 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 79' ' ' ALA . 1.6 pp20? -69.41 -39.61 77.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -58.85 -26.74 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 102.3 51.05 1.08 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.22 133.41 45.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.699 0.285 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.454 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 42.8 mt-10 -101.64 128.49 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.774 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 49.9 m-85 -120.2 99.28 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.707 HG12 HG22 ' A' ' 99' ' ' VAL . 41.3 mt -80.21 105.7 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 8.6 mp -101.3 139.57 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.565 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 41.1 tt0 -118.16 105.03 11.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 82.6 p -75.39 -176.8 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.7 mp -57.73 -62.05 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -141.14 174.58 10.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 84.7 p -52.85 -28.19 21.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 10.6 mt -66.44 -65.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -54.09 -27.79 35.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 96' ' ' ASN . 3.2 tmtm? -63.76 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.472 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -50.55 -34.52 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -64.42 -45.19 88.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.662 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 35.1 m95 -61.03 -56.57 19.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.484 HG21 ' NZ ' ' A' ' 118' ' ' LYS . 98.0 t -43.25 -37.24 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.45 49.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.585 ' HB3' HD13 ' A' ' 49' ' ' LEU . 39.6 m-20 -52.52 -36.15 54.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 mt -85.62 -60.5 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.535 ' CD ' ' CG1' ' A' ' 83' ' ' VAL . 13.1 mm-40 -51.02 -29.5 12.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -76.68 -22.73 71.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 97.4 m -89.43 -52.46 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.7 p -38.62 -33.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.523 ' O ' ' C ' ' A' ' 131' ' ' SER . 1.1 t70 -176.19 153.63 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 130' ' ' ASP . 11.0 t -28.08 99.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.92 -77.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -174.86 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.695 2.264 . . . . 0.0 112.346 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t -43.76 110.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.6 t -50.01 163.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 t -168.71 135.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -156.35 177.3 11.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.12 -126.3 6.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 62.0 42.8 9.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.829 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -86.83 160.85 18.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.87 97.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -82.6 96.43 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.1 111.46 15.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.05 40.29 18.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.52 -58.46 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -83.51 108.12 16.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.612 HG13 HD22 ' A' ' 15' ' ' LEU . 12.3 p -112.95 141.7 27.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -80.83 88.38 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.612 HD22 HG13 ' A' ' 13' ' ' VAL . 1.4 pt? -116.26 171.4 7.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p -78.0 139.56 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.74 -49.7 76.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.29 106.51 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.98 -47.11 54.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HB2' ' CG ' ' A' ' 124' ' ' ASP . 0.5 OUTLIER -156.82 141.89 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' OE2' ' NH2' ' A' ' 46' ' ' ARG . 42.2 tt0 -153.0 130.8 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -156.52 -175.11 27.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.4 96.72 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -131.88 173.6 11.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -92.98 154.98 17.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.923 ' CE1' HG21 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -142.11 155.24 45.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.8 ptp -152.56 156.16 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.421 HG22 ' CD2' ' A' ' 108' ' ' TYR . 99.6 t -120.08 126.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 101.35 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -156.47 145.54 20.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -78.53 85.96 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -115.85 122.14 44.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.61 111.92 11.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.1 t -113.79 -55.74 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.29 -159.77 22.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.437 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 175.32 8.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.77 106.73 1.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.54 134.94 4.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.5 p -63.71 -49.48 72.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.754 0.312 . . . . 0.0 111.15 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.16 136.37 19.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' TRP . 11.5 mm100 -43.35 -43.5 5.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 111' ' ' GLU . 76.1 m95 -34.01 140.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -117.13 141.42 48.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.6 ptpt -66.07 131.34 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.582 ' CB ' HG22 ' A' ' 64' ' ' VAL . 2.8 p -155.36 167.34 30.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 37.2 ttt180 -124.24 116.55 22.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 121' ' ' TRP . 13.0 tp -86.71 114.85 23.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 tp -117.88 120.7 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' A' ' 124' ' ' ASP . 2.1 tt -111.27 97.94 7.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -125.77 170.53 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -65.82 136.68 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.75 162.54 21.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 33.6 m -121.87 161.79 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 53' ' ' VAL . . . 74.95 48.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.76 88.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.437 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -174.38 146.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -62.57 -75.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' HB2' ' HG ' ' A' ' 77' ' ' LEU . 6.3 m-85 -136.71 177.29 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -156.69 130.33 8.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 77' ' ' LEU . 2.2 mm? -95.05 151.14 19.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -140.08 122.46 16.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.617 ' HE2' HD21 ' A' ' 110' ' ' LEU . 4.2 m-85 -106.99 101.09 10.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -82.93 101.93 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.923 HG21 ' CE1' ' A' ' 26' ' ' PHE . 4.8 t -122.05 107.8 35.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 111.082 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.08 60.25 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.385 -0.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.6 Cg_endo -69.77 1.5 4.38 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -98.51 -24.65 15.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.74 145.93 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -66.9 -42.88 84.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -109.29 152.04 42.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 140.8 43.56 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.718 2.278 . . . . 0.0 112.328 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -82.53 -39.05 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 73' ' ' VAL . 59.7 t -125.04 62.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.0 p -70.97 109.5 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.6 HD11 ' OH ' ' A' ' 108' ' ' TYR . 86.6 mt -117.53 130.29 24.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 111.155 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 149.85 67.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -60.42 -37.0 79.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -54.24 -35.04 62.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.84 90.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.482 HD13 HG12 ' A' ' 102' ' ' VAL . 26.1 mm -58.04 129.25 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.96 -31.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 17.9 tt0 -153.61 120.43 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' VAL . 2.0 p -105.74 97.67 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -89.07 128.05 35.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 p -85.18 26.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.496 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 14.5 t -98.85 157.06 16.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.9 mmt -115.51 152.92 47.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.536 0.684 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.38 28.42 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.993 HD13 ' N ' ' A' ' 90' ' ' GLU . 1.9 tm? -130.42 160.83 32.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.993 ' N ' HD13 ' A' ' 89' ' ' LEU . 9.5 mm-40 -75.73 56.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.419 ' C ' ' H ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -41.32 163.66 0.1 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.435 ' C ' ' HG2' ' A' ' 93' ' ' GLU . 54.1 Cg_endo -69.79 11.93 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.435 ' HG2' ' C ' ' A' ' 92' ' ' PRO . 3.5 mm-40 74.99 24.99 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -47.97 -31.38 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 57.46 39.45 28.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -132.47 30.13 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 111' ' ' GLU . 4.5 p -141.7 161.07 38.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 6.7 p90 -155.53 153.2 29.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 86' ' ' THR . 21.2 t -107.06 143.72 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.1 mt -114.99 103.86 11.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' NZ ' ' HA2' ' A' ' 105' ' ' GLY . 4.0 tmtm? -91.96 104.93 17.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.482 HG12 HD13 ' A' ' 80' ' ' ILE . 2.7 m -81.95 -178.81 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 5.5 pt-20 -84.68 -33.42 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.479 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 2.1 m120 -68.07 -23.47 64.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.431 ' HA2' ' NZ ' ' A' ' 101' ' ' LYS . . . 102.11 78.86 1.35 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.438 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -163.4 121.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -94.37 125.33 38.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.6 ' OH ' HD11 ' A' ' 75' ' ' ILE . 41.0 m-85 -113.86 109.34 18.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.1 mt -92.83 109.47 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.617 HD21 ' HE2' ' A' ' 62' ' ' PHE . 7.8 mp -105.4 146.15 29.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.662 ' HA ' HG22 ' A' ' 97' ' ' THR . 53.5 tt0 -116.75 102.03 9.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.534 HG21 ' HA ' ' A' ' 118' ' ' LYS . 70.3 p -73.15 -177.55 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.55 -69.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.68 169.22 14.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.6 p -52.63 -21.16 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.449 ' O ' ' CD2' ' A' ' 119' ' ' HIS . 18.3 mt -74.63 -44.14 51.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -68.33 -36.42 79.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.534 ' HA ' HG21 ' A' ' 112' ' ' THR . 6.5 ttpt -57.67 -65.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 120' ' ' SER . 0.1 OUTLIER -45.95 -46.99 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.524 ' N ' ' CG ' ' A' ' 119' ' ' HIS . 1.6 m -50.82 -45.14 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.563 ' CD2' HD23 ' A' ' 47' ' ' LEU . 45.8 m95 -64.86 -57.77 7.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.7 t -42.07 -41.47 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.179 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.62 -42.15 68.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.611 ' HB3' HD13 ' A' ' 49' ' ' LEU . 13.7 m-20 -61.08 -31.82 71.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.442 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 15.7 mt -90.79 -37.93 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -72.38 -28.36 62.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -71.03 -26.53 73.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.457 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 129' ' ' VAL . 2.5 p -92.69 -56.62 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 130' ' ' ASP . 14.6 p -33.58 -44.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.512 ' N ' HG13 ' A' ' 129' ' ' VAL . 1.2 p30 -175.52 131.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 130' ' ' ASP . 10.4 t -32.51 -50.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 133' ' ' PRO . . . 106.96 -138.91 14.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 132' ' ' GLY . 54.2 Cg_endo -69.79 -31.7 19.87 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 37.7 p -174.98 163.51 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 83.6 p -76.94 142.1 40.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -120.3 111.91 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -164.56 146.01 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.5 79.86 0.59 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -124.01 84.12 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -171.26 174.8 4.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.52 154.85 7.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 66.12 42.14 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.486 HD13 ' N ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -87.9 122.64 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' N ' HD13 ' A' ' 9' ' ' LEU . . . -160.76 107.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.12 144.71 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -113.52 135.98 53.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -139.4 131.54 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.181 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -76.61 105.97 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -133.75 151.15 51.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.71 138.98 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -44.64 -60.68 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.8 mp -49.5 110.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -81.7 -45.78 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HG2' ' CD2' ' A' ' 121' ' ' TRP . 3.4 tpm_? -161.32 141.08 10.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -151.75 139.31 19.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' OE2' ' A' ' 21' ' ' GLU . . . -167.01 -175.88 37.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.512 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.3 97.09 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.791 0.329 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD13 HG22 ' A' ' 112' ' ' THR . 0.1 OUTLIER -129.03 171.31 12.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -96.45 142.15 28.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.76 162.81 26.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.418 ' HE2' ' HB2' ' A' ' 41' ' ' GLN . 7.9 ptp -156.05 166.14 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' CD2' ' A' ' 108' ' ' TYR . 82.4 t -124.71 133.7 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.25 107.3 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.9 116.09 13.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 32' ' ' ALA . 58.6 m-20 49.04 42.99 21.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' ASP . . . -34.05 119.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -170.82 169.63 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' GLY . 4.5 m 60.38 44.26 12.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 34.49 -152.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -19.77 35.5 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.321 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 38' ' ' GLY . . . 65.98 157.24 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.449 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -35.34 -82.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -73.11 165.78 24.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB1' ' HD1' ' A' ' 42' ' ' TRP . . . -90.41 106.97 18.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 42' ' ' TRP . 11.8 mm-40 -36.8 -39.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CH2' ' HB2' ' A' ' 111' ' ' GLU . 93.2 m95 -32.66 140.41 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -127.13 128.53 46.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -56.15 122.91 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.429 ' C ' ' HB3' ' A' ' 66' ' ' PRO . 15.0 p -150.81 172.33 15.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' HB2' ' CB ' ' A' ' 66' ' ' PRO . 34.5 ttm180 -124.42 129.43 50.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.661 HD11 HD12 ' A' ' 60' ' ' LEU . 13.1 tp -99.31 118.89 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 tp -124.18 121.04 34.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 tt -111.99 97.83 6.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -118.67 154.95 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 58' ' ' PHE . 10.1 mtp85 -66.5 139.61 57.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.76 166.3 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 54' ' ' ALA . 35.6 m -75.31 160.86 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 53' ' ' VAL . . . -33.2 111.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.56 -38.91 1.12 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -137.86 167.71 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.473 ' CB ' ' SG ' ' A' ' 128' ' ' CYS . 25.1 mtp85 -78.46 -74.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CE1' ' HG2' ' A' ' 51' ' ' ARG . 30.4 m-85 -125.82 178.84 5.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -151.87 126.58 9.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.661 HD12 HD11 ' A' ' 47' ' ' LEU . 1.2 mm? -90.38 133.09 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -125.04 129.48 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 62' ' ' PHE . 3.5 m-85 -111.92 101.26 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -85.34 112.46 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 65' ' ' PRO . 1.8 t -130.25 105.39 16.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.66 170.38 58.34 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.359 -0.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB2' ' A' ' 46' ' ' ARG . 53.7 Cg_endo -69.77 -0.86 7.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.4 -28.05 16.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.17 150.56 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.1 m -75.99 -39.23 56.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -104.59 139.9 20.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 142.83 48.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -79.16 -46.11 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.2 t -122.07 67.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.1 p -74.42 109.88 8.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.564 HG21 HG11 ' A' ' 102' ' ' VAL . 72.5 mt -118.94 131.57 24.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.669 0.747 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.05 68.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.648 2.232 . . . . 0.0 112.371 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.6 HD23 HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -54.86 -42.4 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -52.73 -37.61 59.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.48 -48.54 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.1 mm -57.94 133.87 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pt -129.11 -33.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -144.18 138.39 28.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 83' ' ' VAL . 6.8 p -130.27 108.81 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -81.73 105.63 13.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.472 ' O ' ' HE2' ' A' ' 87' ' ' MET . 35.1 p -74.74 -38.45 62.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.7 p -84.32 142.01 30.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.472 ' HE2' ' O ' ' A' ' 85' ' ' THR . 31.2 mmt -100.6 153.41 37.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -165.71 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.499 ' N ' HD22 ' A' ' 89' ' ' LEU . 2.9 mm? -76.03 51.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.96 -47.37 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.19 137.42 21.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.833 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.456 ' HG2' ' H ' ' A' ' 93' ' ' GLU . 54.3 Cg_endo -69.76 -70.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' H ' ' HG2' ' A' ' 92' ' ' PRO . 13.3 tt0 -134.99 49.1 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -96.18 81.65 3.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.25 30.51 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.483 ' HB3' ' N ' ' A' ' 115' ' ' SER . 0.6 OUTLIER -128.07 40.31 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 111' ' ' GLU . 20.6 p -141.74 162.45 35.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 9.3 p90 -161.26 138.76 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.67 HG22 HG12 ' A' ' 109' ' ' ILE . 21.6 t -94.56 138.36 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.3 mt -114.51 104.04 11.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -96.05 102.79 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.564 HG11 HG21 ' A' ' 75' ' ' ILE . 3.9 m -74.22 167.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 104' ' ' ASN . 2.8 pt-20 -61.68 -29.74 70.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.479 ' N ' ' HG3' ' A' ' 103' ' ' GLU . 0.8 OUTLIER -67.68 -30.14 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.44 47.96 0.95 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.97 123.06 29.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 99' ' ' VAL . 14.7 mt-10 -93.96 128.1 40.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.404 ' CD2' HG22 ' A' ' 28' ' ' VAL . 68.7 m-85 -119.2 104.94 10.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.67 HG12 HG22 ' A' ' 99' ' ' VAL . 55.4 mt -86.74 107.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.2 mp -102.03 139.1 38.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.525 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . 36.0 tt0 -112.6 109.32 18.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.766 HG22 HD13 ' A' ' 24' ' ' LEU . 39.6 p -87.79 176.38 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 117' ' ' GLN . 88.1 mt -48.33 -63.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -156.02 168.93 25.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' HB3' ' A' ' 96' ' ' ASN . 23.1 m -38.23 -36.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.07 -62.23 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.485 ' HG3' HD12 ' A' ' 113' ' ' ILE . 18.9 mm-40 -65.58 -41.8 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.53 ' HD3' ' N ' ' A' ' 119' ' ' HIS . 8.7 tmtt? -52.57 -61.77 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.53 ' N ' ' HD3' ' A' ' 118' ' ' LYS . 9.0 t60 -48.81 -37.9 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.6 m -61.79 -59.66 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.593 ' CZ3' HD23 ' A' ' 47' ' ' LEU . 48.2 m95 -45.53 -59.26 2.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.7 t -45.75 -31.17 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 120' ' ' SER . . . -70.96 -59.08 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.43 ' OD1' ' HA ' ' A' ' 121' ' ' TRP . 0.0 OUTLIER -52.7 -48.85 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.7 mt -60.55 -67.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' CG ' HG11 ' A' ' 83' ' ' VAL . 11.2 mt-30 -55.01 -27.78 46.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.04 -28.85 64.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.473 ' SG ' ' CB ' ' A' ' 57' ' ' ARG . 49.2 t -93.56 -62.24 1.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 128' ' ' CYS . 4.1 p -30.66 -40.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 128' ' ' CYS . 25.6 t0 -130.73 -72.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -169.28 144.95 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 147.95 83.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 147.55 63.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.303 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 40.7 t -75.02 157.66 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 79.7 p -68.8 135.18 50.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.952 . . . . . . . . 0 0 . 1 stop_ save_