data_2ekh_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 2ekh _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 ' 9' ' ' THR . . . . . . . . . . . . . 53.5 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.0 p -88.39 132.43 34.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -115.73 165.89 12.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 49.1 mmm -112.45 123.47 50.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -74.96 128.23 35.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.4 t -113.94 -9.28 13.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -142.86 130.64 21.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 114.38 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -94.52 143.3 26.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -109.19 122.36 47.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -67.3 135.94 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -99.51 -25.24 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -122.36 150.2 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -49.48 -26.63 3.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 m -72.76 -47.45 46.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.9 162.97 10.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.465 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -136.79 142.62 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' HD12 ' A' ' 25' ' ' ILE . 93.1 p -98.47 133.06 43.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -126.9 150.97 73.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 168.25 22.1 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.37 98.7 11.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.08 31.08 0.23 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 m -131.49 169.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -108.66 147.98 31.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.3 m -140.13 152.75 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -105.4 122.68 46.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.4 t -83.02 102.15 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.8 mt -72.45 -61.94 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.42 178.52 4.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -151.75 123.58 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -91.91 156.1 17.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -81.17 5.79 15.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -100.78 -22.33 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.78 -10.67 8.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 74.5 m95 -93.02 115.57 28.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -106.98 147.76 29.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 52' ' ' GLU . 5.5 t80 -86.01 106.31 17.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -101.94 162.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 49' ' ' GLY . 65.4 ttt-85 -127.04 122.71 35.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -116.18 93.0 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.492 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . 75.51 -103.01 1.56 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -114.82 25.38 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -139.22 152.64 47.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 4.4 mp0 -135.06 123.45 23.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -135.33 161.33 24.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 89.1 m95 -90.29 108.49 19.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.69 145.99 34.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.71 137.8 36.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 p -62.54 -8.73 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -73.12 -39.16 65.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.805 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -76.45 -24.03 53.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.898 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.26 143.0 27.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.55 HG21 ' CE1' ' A' ' 11' ' ' TYR . 89.3 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.78 0.324 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -84.35 134.91 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CE1' HG21 ' A' ' 9' ' ' THR . 2.8 m-85 -114.23 168.68 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.448 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 3.4 tpt -116.1 123.91 49.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -71.61 125.48 27.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -94.5 -11.29 29.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -158.71 161.48 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.79 122.12 26.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -105.2 138.5 41.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.56 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 14.2 tm0? -94.39 151.25 19.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -100.71 113.82 27.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.57 -43.77 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -106.37 143.14 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -48.5 -32.78 8.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.1 m -61.81 -34.35 75.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.73 169.2 15.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.472 ' C ' ' CD1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -140.58 140.44 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' HD13 ' A' ' 25' ' ' ILE . 98.5 p -95.13 134.02 38.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.786 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -125.65 148.2 61.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 172.05 13.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.53 103.1 15.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 129.77 30.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.442 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.3 m -132.28 148.87 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -86.7 149.8 24.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -141.04 153.57 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -105.88 134.77 48.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.501 HG23 ' CE1' ' A' ' 11' ' ' TYR . 53.4 t -99.28 111.25 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.8 mt -80.61 -63.19 1.46 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -123.12 169.27 11.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.483 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 44.4 mttp -141.16 143.36 34.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -113.86 131.23 56.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -40.49 -41.02 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.1 p -48.44 -48.45 37.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.77 -29.46 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.492 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 81.6 m95 -72.89 121.79 20.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 26.0 m0 -110.75 139.26 46.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.2 t80 -76.78 106.28 8.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.69 170.34 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -136.11 122.5 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -119.25 94.27 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.59 -106.47 2.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -116.12 24.67 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -137.04 153.67 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 23.3 mp0 -132.52 121.94 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -136.1 156.08 22.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -81.95 106.31 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.729 0.299 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.18 144.62 29.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.74 143.75 51.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.559 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 60.4 p -69.25 -22.15 63.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -66.14 -40.8 90.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 21.6 m-85 -74.45 -9.41 58.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.7 mt -104.67 143.51 32.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 12' ' ' MET . 29.0 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.788 0.327 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -93.3 137.09 32.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.49 ' CE1' HG23 ' A' ' 35' ' ' VAL . 6.0 m-85 -114.49 173.05 6.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.467 ' HE1' ' N ' ' A' ' 31' ' ' VAL . 3.5 tpt -114.31 144.91 42.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.449 HG21 ' CD1' ' A' ' 27' ' ' PHE . 25.9 p -96.11 122.49 39.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.16 -16.17 18.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -143.19 156.92 44.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.69 118.25 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -100.16 142.21 31.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -101.24 139.73 36.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -76.67 118.07 18.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.53 -47.21 78.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -122.67 168.2 12.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -51.58 -37.93 52.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -59.58 -49.29 78.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.34 164.79 12.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -140.56 140.16 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' HD11 ' A' ' 25' ' ' ILE . 88.4 p -93.88 135.64 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.449 ' CD1' HG21 ' A' ' 13' ' ' THR . 7.9 p90 -128.63 145.52 56.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.2 19.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.304 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.84 102.19 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.7 29.96 0.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' N ' ' HE1' ' A' ' 12' ' ' MET . 12.1 m -133.92 160.36 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -105.91 144.21 32.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.68 163.63 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -111.72 121.12 44.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.49 HG23 ' CE1' ' A' ' 11' ' ' TYR . 87.5 t -81.74 116.26 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 45' ' ' TYR . 39.8 mt -85.76 -61.77 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -131.73 155.8 47.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -121.96 141.91 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -117.29 128.13 54.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -37.34 -47.66 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.7 p -41.23 -46.46 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.74 -31.66 2.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 80.2 m95 -70.64 116.92 11.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.556 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 36.0 m0 -104.43 140.42 37.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 4.1 t80 -81.68 110.45 17.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 m -107.28 169.64 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -131.13 121.02 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -118.6 91.98 3.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.04 -122.73 6.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -96.63 26.82 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.2 mt -142.31 159.57 41.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -140.34 125.58 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -137.76 166.73 25.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 83.1 m95 -95.53 114.18 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.03 145.91 35.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.1 Cg_endo -69.77 138.63 38.23 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.287 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.556 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 54.2 p -64.16 -16.59 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -64.1 -31.61 72.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 6.4 m-85 -84.18 -36.67 22.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.73 142.74 48.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.834 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.538 HG22 ' CE1' ' A' ' 11' ' ' TYR . 74.7 m . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.808 0.337 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 t -92.61 132.99 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE1' HG22 ' A' ' 9' ' ' THR . 8.4 m-85 -115.56 176.75 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 ttm -123.38 130.91 53.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -81.93 129.86 34.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.421 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 31.6 p -101.68 -19.22 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -139.69 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.12 125.5 29.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -102.26 137.9 39.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -104.36 121.17 42.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 150.29 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 21' ' ' GLN . 11.5 p -110.32 -40.48 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' N ' HG12 ' A' ' 20' ' ' VAL . 61.2 mt-30 -112.53 150.78 30.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -46.67 -29.42 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m -65.64 -46.85 77.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 1.4 mp0 -72.27 161.79 30.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.3 140.72 41.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' HD12 ' A' ' 25' ' ' ILE . 53.9 p -91.97 131.0 37.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -125.81 147.63 59.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.75 15.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.58 109.38 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.02 30.99 1.05 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.26 151.04 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -93.32 144.02 25.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 m -134.37 173.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -123.71 120.91 34.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG13 ' NZ ' ' A' ' 38' ' ' LYS . 77.3 t -82.43 109.98 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 mt -81.27 -52.07 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -133.38 161.74 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 25.0 mttm -132.55 135.72 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -107.65 159.37 16.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' SER . 19.0 mt-10 -66.22 -60.42 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' GLU . 23.2 t -35.37 -41.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.67 22.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -111.26 118.77 36.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 26.0 m0 -110.93 140.79 45.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.557 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 4.2 t80 -86.57 107.32 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -101.56 170.86 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -134.3 123.45 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -115.32 93.26 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.59 -102.8 2.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.93 -3.36 14.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' HD13 ' A' ' 51' ' ' LEU . 4.0 mp -106.47 166.23 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -145.58 123.38 11.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -137.45 159.08 24.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 92.5 m95 -88.1 117.09 26.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.787 0.327 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.61 144.79 34.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.5 Cg_endo -69.79 144.44 53.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.9 p -67.67 -13.4 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -69.36 -28.19 65.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.5 m-85 -89.87 -40.31 12.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.2 137.38 54.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 14' ' ' CYS . 95.4 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.527 HG23 ' CE1' ' A' ' 11' ' ' TYR . 40.8 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.8 0.333 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.8 p -83.17 128.85 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.527 ' CE1' HG23 ' A' ' 9' ' ' THR . 4.3 m-85 -109.45 174.61 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 48.0 mmm -119.91 124.73 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.492 HG21 ' CD1' ' A' ' 27' ' ' PHE . 18.3 p -70.72 131.66 44.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.9 t -99.16 -12.66 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -153.37 161.96 41.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.68 121.12 25.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 10.2 t80 -99.9 153.81 18.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.496 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 6.1 tt0 -117.97 142.14 47.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -90.94 142.56 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -105.14 -31.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -122.72 158.69 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -52.99 -25.03 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -71.66 -45.76 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.69 160.34 31.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.464 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -137.67 142.02 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' HD12 ' A' ' 25' ' ' ILE . 72.3 p -96.4 134.82 39.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.492 ' CD1' HG21 ' A' ' 13' ' ' THR . 9.2 p90 -128.77 149.65 72.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 171.95 13.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.1 107.7 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.8 28.4 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.91 162.2 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -106.27 139.75 40.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 m -128.05 163.88 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -112.61 126.79 55.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.414 HG23 ' CD1' ' A' ' 11' ' ' TYR . 76.9 t -87.55 96.34 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.19 -48.93 74.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -144.65 165.2 28.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -133.25 150.89 51.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' GLU . 38.2 mt-30 -121.19 123.7 42.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' GLN . 3.2 tt0 -36.63 -43.28 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -44.49 -52.54 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.38 -30.06 1.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -75.58 124.47 27.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -109.78 150.64 28.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.535 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 3.2 t80 -92.31 105.96 18.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.07 161.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' CZ ' ' O ' ' A' ' 49' ' ' GLY . 1.2 tmt_? -127.16 122.61 34.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -116.24 101.0 8.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . 71.94 -99.29 0.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -122.1 27.69 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -139.19 155.4 47.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -134.1 119.01 18.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -130.66 163.5 23.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.535 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 95.4 m95 -94.88 107.61 19.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.29 144.56 30.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.548 0.689 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.81 133.73 26.17 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -59.59 -11.61 5.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -67.67 -31.81 72.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.532 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 6.6 m-85 -85.93 -25.58 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 mt -81.93 143.56 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.55 HG23 ' CE1' ' A' ' 11' ' ' TYR . 73.3 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.799 0.333 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -90.73 134.04 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CE1' HG23 ' A' ' 9' ' ' THR . 8.4 m-85 -114.98 174.01 6.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 ttt -117.28 133.81 55.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 p -80.74 120.43 24.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.8 t -93.78 -12.08 29.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -147.92 157.02 43.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.89 111.67 18.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -94.73 136.71 34.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.585 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 3.0 pt20 -95.43 151.17 19.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -102.35 101.37 11.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.44 -23.96 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -115.8 150.98 36.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.69 -39.02 73.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 m -62.46 -41.54 98.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -72.89 160.94 31.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -134.3 140.26 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.416 ' C ' HD12 ' A' ' 25' ' ' ILE . 95.9 p -94.55 135.21 36.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -130.11 148.47 69.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 173.14 11.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 110.58 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.03 32.94 1.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -130.49 147.3 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -85.81 150.28 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.25 158.36 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.95 155.88 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 11' ' ' TYR . 96.8 t -117.58 99.04 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.2 mt -66.28 -55.02 18.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -138.86 165.32 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.492 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 43.3 mttp -132.65 137.74 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.03 125.28 50.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.71 -37.99 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 m -46.71 -50.89 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.03 -31.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 24.8 m95 -79.86 134.1 36.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.501 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 21.5 m0 -117.55 137.24 52.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CD1' ' CE2' ' A' ' 54' ' ' TRP . 4.5 t80 -72.7 105.37 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 m -101.26 173.0 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -139.97 121.96 15.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -117.25 98.26 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.05 -108.97 2.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.67 33.06 5.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.1 mt -147.56 145.88 29.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -126.06 122.31 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -132.79 167.01 23.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.572 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 90.4 m95 -98.14 115.78 28.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.54 145.55 39.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.71 138.3 37.64 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.734 2.289 . . . . 0.0 112.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.501 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 20.1 t -58.89 -30.17 67.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -53.38 -40.47 65.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.1 m-85 -73.92 -35.67 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.46 136.16 36.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.874 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.6 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -95.9 141.3 29.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CD1' HG23 ' A' ' 35' ' ' VAL . 5.9 m-85 -122.25 174.44 6.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 42.2 mmm -122.82 123.64 41.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.0 p -68.88 125.1 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 43.1 t -94.31 -17.28 22.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -144.9 171.92 13.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.59 132.75 35.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.539 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -120.27 140.34 51.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.539 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 8.7 pt20 -102.93 147.53 26.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -79.6 128.65 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -93.16 -24.38 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -138.27 152.33 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -47.58 -25.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -73.22 -41.77 63.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.482 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 14.7 mp0 -72.81 169.51 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -139.71 138.88 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.2 125.92 36.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.475 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 6.4 p90 -124.55 146.37 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 177.65 5.32 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.3 97.2 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.5 34.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.3 167.82 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -106.23 144.93 32.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.3 146.62 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -96.6 126.28 41.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.437 HG23 ' CD1' ' A' ' 11' ' ' TYR . 34.8 t -86.17 101.28 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.89 -59.4 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -141.73 167.48 22.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HE2' ' CE3' ' A' ' 44' ' ' TRP . 44.4 mttt -127.96 147.49 50.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -116.7 136.79 52.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -44.44 -47.71 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.2 p -42.1 -44.78 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.12 -23.9 3.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -77.14 128.3 34.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.72 0.295 . . . . 0.0 110.955 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.509 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 38.9 m0 -112.65 144.27 42.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 52' ' ' GLU . 3.1 t80 -83.54 108.04 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.01 161.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -123.78 124.78 43.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -115.32 97.97 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.63 -95.03 0.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -124.03 24.3 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.7 mt -134.8 161.99 33.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 18.1 mt-10 -139.45 114.3 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.462 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -129.51 156.56 21.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -82.61 106.27 14.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.64 144.96 31.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.693 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.442 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.5 Cg_endo -69.79 136.23 32.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.509 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 80.1 p -63.64 -16.68 61.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -65.98 -33.11 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.442 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.2 m-85 -83.96 -31.2 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.3 mt -74.19 158.6 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 14' ' ' CYS . 59.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.47 HG23 ' CE1' ' A' ' 11' ' ' TYR . 53.8 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.794 0.33 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 9' ' ' THR . 47.2 p -96.59 136.7 36.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.47 ' CE1' HG23 ' A' ' 9' ' ' THR . 11.4 m-85 -119.22 171.33 8.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.462 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 24.9 mmm -114.59 135.91 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 p -85.1 119.12 25.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.4 t -94.63 -1.27 53.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -157.03 154.62 29.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.19 115.47 20.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CZ ' ' O ' ' A' ' 18' ' ' GLN . 3.5 t80 -93.73 152.85 18.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.538 ' O ' ' CZ ' ' A' ' 17' ' ' TYR . 10.7 tp-100 -114.06 140.68 48.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -82.55 125.92 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -84.85 -22.06 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -147.22 155.49 42.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -45.32 -35.35 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.3 m -59.16 -38.83 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 12.5 mp0 -84.83 164.29 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.483 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -135.84 139.55 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' HD13 ' A' ' 25' ' ' ILE . 59.2 p -98.19 129.04 44.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -123.37 156.5 63.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 168.36 21.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.18 104.77 17.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.13 32.98 0.56 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.437 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.4 m -132.4 157.05 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -94.51 145.66 24.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.46 168.43 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -115.57 130.11 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -92.6 99.29 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' ' OE1' ' A' ' 52' ' ' GLU . 88.1 mt -63.14 -52.11 63.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 21.9 tp10 -147.34 161.04 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 47.8 mttp -124.41 138.82 54.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -108.25 125.51 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -42.28 -37.3 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.0 m -47.71 -55.8 8.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.45 -32.27 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -78.99 129.53 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.4 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 43.0 m0 -113.01 142.5 45.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.57 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 4.6 t80 -81.21 110.07 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.73 162.34 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -126.92 121.07 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -119.44 91.92 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.83 -130.43 14.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -87.39 30.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -148.05 155.62 41.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 36' ' ' LEU . 26.1 mt-10 -137.84 126.83 24.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.463 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -136.46 167.77 24.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 92.1 m95 -96.0 109.99 22.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.84 146.39 35.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.527 0.679 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.76 141.51 45.45 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.4 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 77.0 p -66.41 -7.39 19.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -72.9 -33.72 66.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.7 m-85 -79.42 -25.26 42.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.1 mt -87.98 151.39 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 12' ' ' MET . 5.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.4 HG23 ' CE1' ' A' ' 11' ' ' TYR . 69.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.796 0.331 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -84.72 137.99 32.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CD1' HG21 ' A' ' 35' ' ' VAL . 6.4 m-85 -120.06 177.46 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.402 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 14.2 mtp -119.1 137.41 53.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.551 HG22 ' CD1' ' A' ' 27' ' ' PHE . 69.8 p -85.55 129.28 34.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.9 t -93.79 -12.13 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -157.55 169.44 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.86 128.91 34.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -102.57 140.91 36.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -105.56 128.75 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 140.71 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.83 -38.31 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -109.68 157.72 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -54.87 -27.85 45.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -67.58 -51.54 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.78 162.28 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.46 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -138.12 139.5 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' HD11 ' A' ' 25' ' ' ILE . 64.1 p -93.66 134.5 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.551 ' CD1' HG22 ' A' ' 13' ' ' THR . 6.7 p90 -130.02 150.05 74.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.48 14.39 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.229 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.56 107.5 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.25 23.26 1.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.63 141.8 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -76.37 168.78 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.5 m -150.65 154.36 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -101.59 117.74 35.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 11' ' ' TYR . 98.7 t -84.28 105.73 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.2 mt -77.98 -61.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -127.86 159.15 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -129.32 144.37 51.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -116.77 139.7 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -52.1 -42.93 63.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.5 p -45.41 -43.09 10.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.34 -18.37 3.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.48 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 81.0 m95 -82.45 122.57 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.51 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 44.1 m0 -111.26 142.46 43.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -85.49 107.05 17.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.75 164.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -127.71 121.19 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -112.84 94.84 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.35 -99.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -118.47 31.29 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 mt -143.33 156.44 44.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -138.22 116.47 11.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.448 ' N ' HG21 ' A' ' 25' ' ' ILE . . . -130.65 165.01 22.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -92.73 114.06 26.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.1 149.28 46.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.582 0.706 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.546 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.7 132.97 24.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.51 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 16.2 t -58.41 -16.8 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -66.28 -34.19 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 5.4 m-85 -82.42 -26.54 32.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.5 mt -75.5 148.2 39.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 12' ' ' MET . 59.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.511 HG22 ' CE1' ' A' ' 11' ' ' TYR . 45.3 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.803 0.335 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 p -87.21 128.56 35.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CD1' HG22 ' A' ' 35' ' ' VAL . 15.1 m-85 -112.3 172.56 6.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.2 mmm -117.18 128.07 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.523 HG21 ' CE2' ' A' ' 27' ' ' PHE . 25.9 p -73.29 125.98 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.6 t -95.21 -10.77 29.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m -153.24 160.62 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.09 122.17 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.415 ' CE2' ' HD3' ' A' ' 56' ' ' PRO . 1.1 t80 -98.8 125.42 44.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -90.67 118.0 29.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -68.88 149.08 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.6 p -118.23 -22.63 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -121.8 151.13 40.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -53.26 -31.8 45.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 m -66.3 -51.44 57.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.48 159.87 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -132.33 139.75 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' HD11 ' A' ' 25' ' ' ILE . 92.7 p -92.61 135.02 34.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.523 ' CE2' HG21 ' A' ' 13' ' ' THR . 13.1 p90 -130.64 147.6 66.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.687 0.756 . . . . 0.0 110.842 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 170.83 15.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.48 101.79 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.45 33.71 0.39 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -131.68 155.55 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -97.96 144.34 27.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 m -131.96 176.14 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -127.94 115.96 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 11' ' ' TYR . 78.3 t -77.55 92.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.58 -47.42 85.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -148.84 155.07 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 14.1 mtmt -120.9 135.69 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -101.11 146.31 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.3 -35.55 75.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 m -51.78 -65.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.56 -32.78 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -78.25 131.61 37.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.725 0.298 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.561 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 43.3 m0 -113.46 150.64 32.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.532 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 3.7 t80 -88.43 106.71 18.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -99.91 172.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -139.32 120.92 15.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -116.66 95.28 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.53 -104.58 2.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -112.19 -4.62 14.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 51' ' ' LEU . 4.6 mp -104.23 159.03 16.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -138.91 123.94 18.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -137.24 170.92 23.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.532 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 90.5 m95 -99.54 107.43 19.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.52 146.06 32.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.77 128.36 15.91 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.387 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 p -54.48 -25.22 24.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -57.54 -34.46 69.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.513 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.7 m-85 -80.0 -36.35 36.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -70.95 152.19 43.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.818 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.551 HG23 ' CE1' ' A' ' 11' ' ' TYR . 35.8 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.781 0.324 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -94.81 136.56 34.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CE1' HG23 ' A' ' 9' ' ' THR . 10.1 m-85 -118.91 167.13 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 93.4 mmm -112.22 129.95 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.512 HG23 ' CE2' ' A' ' 27' ' ' PHE . 19.0 p -80.06 111.18 16.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.8 t -86.33 -10.38 54.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -151.91 147.52 26.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.89 130.84 41.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -102.93 143.94 31.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -107.13 120.58 42.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.33 131.04 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 21' ' ' GLN . 13.7 p -99.59 -27.58 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' N ' HG12 ' A' ' 20' ' ' VAL . 35.6 mm-40 -109.84 168.17 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -73.63 -32.47 64.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.8 m -65.55 -40.2 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -74.89 169.21 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.465 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -141.44 140.15 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' HD13 ' A' ' 25' ' ' ILE . 28.6 p -93.56 133.25 37.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.512 ' CE2' HG23 ' A' ' 13' ' ' THR . 7.7 p90 -125.5 153.36 72.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 170.25 16.97 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.92 101.36 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.98 31.5 0.63 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.24 167.09 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -104.8 141.3 36.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.25 146.44 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -94.33 125.87 39.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG22 ' CD1' ' A' ' 11' ' ' TYR . 55.6 t -87.53 104.18 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 ' CD2' ' A' ' 45' ' ' TYR . 77.3 mt -67.34 -61.95 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -138.42 168.35 19.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -126.87 145.4 50.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -112.64 127.36 56.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -39.05 -38.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t -52.99 -47.67 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.914 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.86 -16.08 2.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.495 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 78.9 m95 -83.75 123.98 30.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 25.4 m0 -110.68 140.21 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.555 ' CD2' HD11 ' A' ' 36' ' ' LEU . 3.5 t80 -81.98 107.21 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.56 171.68 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -131.99 126.89 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -120.66 92.78 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.31 -100.21 1.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.527 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -119.25 34.23 5.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.9 mt -148.77 159.69 43.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 6.0 mp0 -139.88 124.9 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -137.77 162.32 25.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -87.03 109.54 19.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.73 144.07 28.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.585 0.707 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.8 128.56 16.17 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.474 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.3 p -56.76 -13.06 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -66.9 -33.32 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.513 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.0 m-85 -83.74 -38.4 21.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.58 136.91 45.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.46 HG23 ' CE1' ' A' ' 11' ' ' TYR . 91.9 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.783 0.325 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.7 p -82.98 137.58 34.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CD1' HG23 ' A' ' 35' ' ' VAL . 3.4 m-85 -114.27 173.48 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.424 ' HE1' ' N ' ' A' ' 31' ' ' VAL . 3.9 tpt -113.53 143.26 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' A' ' 12' ' ' MET . 6.4 p -97.08 123.59 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.17 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 61' ' ' VAL . 2.0 m -91.99 -22.87 19.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -141.49 159.56 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.17 126.44 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.501 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 2.9 t80 -103.96 141.89 35.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.501 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 57.6 tp60 -102.37 146.77 27.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -100.55 122.76 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -91.01 -29.6 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -115.23 152.09 33.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -53.53 -33.51 54.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 m -63.63 -49.93 71.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.81 162.41 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -136.7 144.06 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.416 ' C ' HD11 ' A' ' 25' ' ' ILE . 67.5 p -97.11 130.88 44.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -125.07 148.82 61.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.85 15.54 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.11 99.99 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.62 29.9 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.424 ' N ' ' HE1' ' A' ' 12' ' ' MET . 17.0 m -129.49 167.4 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -109.35 151.34 26.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.69 166.66 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -113.78 120.65 41.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.567 HG23 ' CD1' ' A' ' 11' ' ' TYR . 77.4 t -82.86 106.43 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.66 -53.0 6.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -122.21 157.23 32.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -137.15 125.75 23.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' GLU . 12.0 mt-30 -97.17 118.46 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' GLN . 55.9 mt-10 -34.65 -38.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 m -49.68 -60.81 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.89 -25.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -79.59 129.31 34.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.752 0.31 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -117.24 143.99 45.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 5.3 t80 -82.27 105.83 13.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 m -101.63 169.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -130.0 122.48 28.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -118.55 107.01 13.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.62 -107.49 2.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -117.23 36.28 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 mt -149.21 167.66 25.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 49.9 mt-10 -141.1 123.35 15.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -132.76 154.92 21.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 95.1 m95 -85.77 110.17 19.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.95 144.87 31.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.583 0.706 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.515 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.76 150.15 67.85 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -70.59 -28.11 64.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -54.64 -36.9 65.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.515 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 8.1 m-85 -81.34 -43.69 18.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.51 146.63 54.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.41 ' CG2' ' SG ' ' A' ' 14' ' ' CYS . 78.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.533 HG21 ' CE1' ' A' ' 11' ' ' TYR . 37.8 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.78 0.324 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -88.33 141.2 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.533 ' CE1' HG21 ' A' ' 9' ' ' THR . 7.4 m-85 -121.55 168.64 11.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.414 ' CE ' ' HA2' ' A' ' 30' ' ' GLY . 5.1 tpt -112.47 124.5 52.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 p -73.96 133.56 43.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.7 t -96.56 -19.67 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 t -151.96 165.86 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.87 130.6 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -109.16 145.57 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -109.79 126.97 54.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -69.59 145.46 52.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.39 -21.92 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -133.13 153.17 51.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -49.53 -25.6 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -70.74 -45.3 65.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -71.62 164.61 25.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.455 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -137.91 138.83 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.416 ' C ' HD11 ' A' ' 25' ' ' ILE . 83.1 p -91.2 130.51 37.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -125.73 148.7 63.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.709 0.766 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 169.54 18.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.13 103.64 16.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.414 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 130.49 30.76 0.59 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -131.24 147.32 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -92.39 138.63 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.44 170.58 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -117.85 120.07 36.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.466 HG22 ' CE1' ' A' ' 11' ' ' TYR . 22.3 t -81.75 104.96 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.7 mt -70.61 -59.48 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -133.0 157.41 45.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 65.3 mttt -123.58 142.56 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -114.26 128.86 56.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -45.0 -30.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 m -51.88 -50.34 61.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.62 -17.24 2.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 30.3 m95 -94.89 132.85 39.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.401 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 28.5 m0 -114.07 154.05 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -92.08 106.83 18.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.34 165.5 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -129.91 125.52 35.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -119.02 94.79 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.03 -99.53 1.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -122.64 24.65 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.2 mt -136.2 156.04 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -134.04 120.35 20.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.452 ' N ' HG21 ' A' ' 25' ' ' ILE . . . -132.64 156.95 22.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -85.94 103.94 15.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.76 0.314 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.75 147.56 34.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.74 126.72 13.66 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -54.14 -20.93 7.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -66.54 -37.71 85.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 10.8 m-85 -80.01 -12.22 59.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -95.54 137.4 34.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 12' ' ' MET . 27.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.472 HG22 ' CE1' ' A' ' 11' ' ' TYR . 52.5 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.789 0.328 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -94.08 144.45 25.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CE1' HG22 ' A' ' 9' ' ' THR . 1.8 m-85 -123.27 171.94 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.464 ' HB3' ' CG1' ' A' ' 61' ' ' VAL . 5.3 tpt -117.37 123.77 47.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.7 p -75.15 114.34 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.6 p -94.54 -13.19 26.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.528 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 38.4 p -138.78 163.12 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.02 113.75 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -90.3 153.85 20.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -122.72 122.44 38.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 133.14 44.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 21' ' ' GLN . 7.7 p -89.45 -43.24 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' HG13 ' A' ' 20' ' ' VAL . 14.6 mm100 -117.47 170.16 8.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.97 -33.35 70.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -59.04 -48.47 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -74.5 167.4 21.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -141.05 139.17 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' HD11 ' A' ' 25' ' ' ILE . 5.9 p -91.25 133.43 35.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -127.99 145.41 55.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.46 21.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.79 100.5 12.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.4 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 134.67 32.71 0.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.67 149.99 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -92.77 145.59 24.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.91 175.47 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -127.42 116.42 20.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -76.39 101.96 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 45' ' ' TYR . 95.8 mt -69.33 -63.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -126.27 152.28 46.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 60.6 mttt -120.63 130.5 54.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -103.11 129.75 50.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -43.65 -36.74 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.9 m -48.23 -56.02 9.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.25 -26.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -82.48 132.03 35.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.309 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 20.0 m0 -116.73 138.99 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.55 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 7.6 t80 -75.24 106.48 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.33 170.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HG3' ' CG ' ' A' ' 52' ' ' GLU . 59.8 ttt180 -134.85 121.09 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -119.07 91.96 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.95 -125.86 11.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -90.63 31.08 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.1 mt -148.55 156.0 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' CG ' ' HG3' ' A' ' 47' ' ' ARG . 19.7 mt-10 -142.13 126.51 17.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -137.02 171.78 22.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 94.2 m95 -97.21 115.14 27.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.67 148.74 46.76 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.79 145.06 55.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.513 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 85.0 p -67.38 -21.36 65.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -60.46 -43.26 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.4 m-85 -70.74 -33.46 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.983 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.3 mt -83.36 139.45 33.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 12' ' ' MET . 11.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 11' ' ' TYR . 59.4 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.752 0.311 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.7 p -97.72 133.82 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 9' ' ' THR . 2.1 m-85 -115.05 170.17 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.448 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 18.2 tpp -115.41 129.47 56.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.442 HG22 ' CD1' ' A' ' 27' ' ' PHE . 43.3 p -75.21 122.51 23.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.8 -24.34 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -145.92 174.91 10.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.65 118.91 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -89.69 135.19 33.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -98.5 122.39 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -82.06 154.15 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 p -121.14 -45.83 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -100.37 152.51 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -51.91 -31.05 26.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -65.1 -47.45 77.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -68.3 166.22 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.47 143.36 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.418 ' C ' HD12 ' A' ' 25' ' ' ILE . 37.0 p -96.58 136.12 37.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.442 ' CD1' HG22 ' A' ' 13' ' ' THR . 17.3 p90 -131.76 147.49 66.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.687 0.756 . . . . 0.0 110.832 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 174.48 9.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.03 96.74 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.41 32.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.03 156.2 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -95.99 140.69 30.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.23 154.78 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -98.71 159.23 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.528 HG22 ' CD1' ' A' ' 11' ' ' TYR . 75.7 t -120.9 106.64 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.6 mt -76.84 -60.1 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -124.88 150.3 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.579 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 22.5 mtmm -135.34 123.06 22.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -94.07 138.7 31.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -47.96 -38.43 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.6 m -48.73 -59.44 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.1 -33.35 0.47 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -69.94 118.14 12.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.739 0.304 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.579 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 50.9 m0 -112.13 143.37 43.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CD1' ' CD1' ' A' ' 54' ' ' TRP . 2.6 t80 -84.92 109.15 17.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -105.2 173.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -139.12 121.01 15.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -113.22 94.56 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.17 -99.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' CG ' HD11 ' A' ' 51' ' ' LEU . 11.3 pt-20 -115.22 -1.46 12.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 HD11 ' CG ' ' A' ' 50' ' ' GLU . 3.8 mp -107.3 152.11 24.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -134.1 122.56 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.469 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -135.52 170.8 22.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.476 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 82.3 m95 -101.0 106.74 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.96 145.0 31.52 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.566 0.698 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.0 Cg_endo -69.75 148.37 64.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.406 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 98.1 p -70.19 -24.07 63.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -55.12 -39.46 69.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.6 m-85 -74.89 -38.68 61.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 mt -69.52 141.1 53.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 12' ' ' MET . 16.7 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.811 0.339 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -102.94 135.83 43.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CE1' HG21 ' A' ' 35' ' ' VAL . 7.5 m-85 -117.28 170.85 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.9 tpp -116.97 124.67 49.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.488 HG23 ' CE1' ' A' ' 27' ' ' PHE . 19.1 p -71.75 126.09 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.2 t -97.76 -0.94 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -159.68 152.89 22.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.24 113.49 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 1.1 t80 -95.02 144.97 25.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 8.4 tp60 -102.87 146.28 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -87.08 137.08 32.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 21' ' ' GLN . 20.1 m -90.09 -37.28 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 4.7 mt-30 -140.55 156.61 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -39.55 -34.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 m -59.04 -46.32 88.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 21' ' ' GLN . 42.7 mp0 -81.13 161.02 24.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -134.81 139.7 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -94.57 135.97 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CE1' HG23 ' A' ' 13' ' ' THR . 5.8 p90 -129.08 151.54 77.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.75 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 168.21 22.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.9 100.58 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.72 35.08 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.64 171.68 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.323 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 33' ' ' VAL . 28.7 tt0 -113.36 150.54 32.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.41 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 3.5 m -140.6 168.55 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -113.77 121.52 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 11' ' ' TYR . 88.5 t -83.37 100.25 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.09 -58.86 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -134.37 160.07 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -127.82 137.61 52.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' GLU . 42.8 mt-30 -110.04 122.21 47.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' GLN . 2.8 pp20? -37.67 -38.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -45.48 -58.08 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.4 -31.51 0.53 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.443 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 50.0 m95 -79.79 130.77 35.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.512 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 35.9 m0 -115.92 143.05 45.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.547 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 5.8 t80 -78.98 109.33 13.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -102.65 166.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -130.89 121.27 24.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -112.09 91.92 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.81 -109.15 2.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.04 -8.77 27.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.467 ' N ' HD13 ' A' ' 51' ' ' LEU . 3.0 mp -103.72 166.5 10.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -149.7 125.56 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -137.9 172.87 22.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.547 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 84.8 m95 -101.46 110.35 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.23 145.98 35.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.3 Cg_endo -69.77 140.88 43.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.512 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 60.8 p -63.04 -18.53 63.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -63.4 -37.16 86.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.0 m-85 -78.72 -32.95 47.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.2 mt -74.84 147.83 40.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.851 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.777 0.323 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -93.48 130.28 39.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CD1' HG23 ' A' ' 35' ' ' VAL . 3.4 m-85 -108.05 174.65 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.1 mmm -120.35 122.5 40.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -74.98 139.09 42.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 48.3 t -113.43 -11.19 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -146.66 150.4 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.39 112.91 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.16 134.87 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -98.32 132.26 43.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 131.33 34.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.58 -9.55 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -135.0 163.42 29.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -63.81 -37.4 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.1 p -61.45 -41.98 98.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.23 165.17 25.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -142.23 140.99 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.418 ' C ' HD11 ' A' ' 25' ' ' ILE . 63.5 p -96.33 136.73 36.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -131.68 153.56 81.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.05 19.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.748 2.299 . . . . 0.0 112.355 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.28 98.51 11.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.53 32.0 0.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 m -130.15 155.11 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 111.186 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -95.23 146.03 24.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -138.9 162.15 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -110.02 121.92 46.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.491 HG23 ' CD1' ' A' ' 11' ' ' TYR . 53.0 t -84.23 105.66 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 mt -75.46 -64.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -119.77 169.22 10.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 51.8 mttp -139.33 137.1 35.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -102.6 153.78 19.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.0 1.09 7.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 t -100.45 -9.99 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.34 -20.42 28.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 80.0 m95 -76.66 117.21 18.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.458 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 23.3 m0 -111.19 139.32 46.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.2 t80 -78.02 107.18 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.72 168.39 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -131.74 121.82 24.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -120.12 94.38 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.91 -109.81 2.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -112.46 33.19 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.8 157.31 43.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 23.9 mp0 -137.97 119.96 15.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' N ' HG21 ' A' ' 25' ' ' ILE . . . -129.87 168.71 21.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 91.5 m95 -97.79 106.66 19.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.48 144.8 30.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.71 144.35 53.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.422 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 88.7 p -66.74 -21.6 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -61.99 -32.35 72.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -81.62 -40.98 22.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.84 147.63 52.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 14' ' ' CYS . 97.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.517 HG22 ' CE1' ' A' ' 11' ' ' TYR . 87.9 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.825 0.345 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 m -86.14 142.53 28.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CE1' HG21 ' A' ' 35' ' ' VAL . 9.4 m-85 -123.2 165.25 17.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.1 tpt -110.1 123.62 50.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -81.45 130.36 35.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.95 -15.9 11.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.49 139.58 50.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.91 115.54 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 3.6 t80 -96.63 149.51 21.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.549 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 21.4 tp60 -107.07 139.97 40.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -80.22 125.24 29.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -79.39 -54.25 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -118.58 166.88 12.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -52.02 -29.77 22.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.3 m -68.53 -26.78 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 43.1 mp0 -90.07 163.53 14.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -139.5 139.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' HD11 ' A' ' 25' ' ' ILE . 90.6 p -92.8 135.76 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -131.85 144.19 52.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.692 0.758 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 172.65 12.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 107.05 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.57 21.14 1.3 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.54 151.84 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -96.85 141.89 29.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.64 -178.78 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -127.73 118.15 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.531 HG21 ' CE1' ' A' ' 11' ' ' TYR . 74.2 t -83.14 102.65 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD13 ' CD2' ' A' ' 45' ' ' TYR . 59.5 mt -67.53 -61.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -135.44 166.51 23.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 74.2 mttt -127.49 145.04 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -111.54 131.32 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -42.38 -38.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -52.05 -58.99 4.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.98 -13.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -87.34 123.24 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.511 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 28.5 m0 -108.68 141.91 39.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.535 ' CD2' HD13 ' A' ' 36' ' ' LEU . 2.9 t80 -82.71 108.2 15.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -106.57 169.05 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -134.3 121.42 21.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -114.79 96.49 5.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.37 -103.08 1.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -117.75 30.19 7.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 mt -144.05 142.76 30.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -124.15 122.19 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -136.64 162.65 25.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.557 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -90.25 116.49 28.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.52 147.13 44.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.694 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.49 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.9 Cg_endo -69.7 136.68 33.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.399 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.511 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 83.2 p -61.02 -30.69 70.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -54.66 -36.92 65.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 9.5 m-85 -81.0 -20.65 41.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.4 mt -92.93 136.41 33.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.445 HG22 ' CE1' ' A' ' 11' ' ' TYR . 58.2 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.788 0.327 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -96.25 131.5 42.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.539 ' CE1' HG22 ' A' ' 35' ' ' VAL . 11.0 m-85 -114.72 172.41 7.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.431 ' CE ' ' HA2' ' A' ' 30' ' ' GLY . 5.7 tpt -112.85 127.13 56.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 p -76.49 124.67 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 p -100.25 -11.67 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 m -148.18 140.11 23.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.93 116.31 6.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.43 ' CG ' ' N ' ' A' ' 18' ' ' GLN . 23.5 t80 -89.14 156.95 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 17' ' ' TYR . 54.8 tp60 -118.21 127.92 54.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 140.57 34.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -100.08 -53.96 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -100.09 155.47 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.75 -31.12 10.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 m -64.11 -41.27 97.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.42 167.94 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -143.5 140.56 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.138 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' HD11 ' A' ' 25' ' ' ILE . 87.5 p -94.33 135.53 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 17.9 p90 -130.7 146.28 61.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 173.65 10.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.64 101.02 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.08 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 135.11 30.24 0.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 m -131.14 156.29 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -100.9 142.85 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.74 170.98 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -120.67 116.57 25.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.539 HG22 ' CE1' ' A' ' 11' ' ' TYR . 65.3 t -75.57 101.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.47 -50.99 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -141.6 167.6 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 21.6 mttm -135.13 130.28 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.2 136.14 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.82 -33.81 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -56.13 -72.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.13 -27.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 83.1 m95 -75.35 119.53 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.71 0.291 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.511 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 43.1 m0 -106.25 148.52 27.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.451 ' CD1' ' CE2' ' A' ' 54' ' ' TRP . 2.0 t80 -90.74 108.06 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -105.03 166.88 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.181 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -129.68 126.94 39.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -121.01 98.28 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.24 -96.21 0.79 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -123.93 15.59 9.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.8 mt -124.94 154.73 40.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 15.8 mt-10 -133.58 124.09 26.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.469 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -137.28 162.01 25.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 95.5 m95 -91.58 109.23 20.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.0 145.08 32.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.79 138.67 38.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.9 p -63.51 -10.12 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -70.12 -33.6 72.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.4 m-85 -81.96 -40.67 21.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 mt -68.58 142.03 55.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.3 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.46 HG23 ' CE1' ' A' ' 11' ' ' TYR . 54.4 m . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -83.69 132.74 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.46 ' CE1' HG23 ' A' ' 9' ' ' THR . 3.6 m-85 -113.42 161.0 17.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.402 ' HE2' ' C ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -104.11 115.69 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.7 p -73.64 128.72 36.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 31.3 p -107.64 -16.75 14.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.5 p -129.98 155.52 45.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.93 113.61 22.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.552 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 3.9 t80 -94.74 150.2 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 11.7 pt20 -111.59 144.5 40.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -81.09 129.27 34.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.95 -23.64 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -145.43 169.42 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -53.82 -39.43 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -59.91 -46.53 89.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.14 163.5 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.464 ' C ' ' CD1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -142.02 139.13 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' HD11 ' A' ' 25' ' ' ILE . 84.6 p -92.15 134.72 34.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -127.46 149.7 70.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.676 0.75 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 169.22 19.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.54 103.2 15.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' C ' ' HE2' ' A' ' 12' ' ' MET . . . 132.66 26.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -128.2 157.38 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -97.28 140.15 32.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.0 m -130.33 171.53 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -121.41 117.48 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.8 t -82.94 102.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.11 -58.12 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -130.12 156.01 45.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.555 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 6.8 mtmp? -132.06 127.23 35.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -98.45 132.66 43.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -47.99 -36.65 13.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 m -46.39 -55.02 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.51 -37.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 75.4 m95 -73.97 128.68 36.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 49.2 m0 -113.93 149.71 34.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.418 ' CD1' ' CD1' ' A' ' 54' ' ' TRP . 3.5 t80 -87.32 111.4 21.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -107.11 167.72 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.434 ' CG ' ' HG2' ' A' ' 52' ' ' GLU . 34.6 ttt-85 -134.83 120.94 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -113.99 91.98 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.96 -114.04 5.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -94.1 -5.89 46.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.6 mp -106.43 159.68 15.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' HG2' ' CG ' ' A' ' 47' ' ' ARG . 30.2 mt-10 -148.19 123.21 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -139.09 174.0 22.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.418 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 79.6 m95 -96.93 113.09 24.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.744 0.307 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.65 145.1 34.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 43' ' ' TRP . 53.7 Cg_endo -69.76 145.87 58.43 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.563 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.1 p -72.4 -10.93 60.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -71.58 -29.48 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.45 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.9 m-85 -86.66 -28.11 23.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.5 mt -79.59 141.67 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 14' ' ' CYS . 96.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -158.64 110.6 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -85.46 99.22 11.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.52 57.16 0.64 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -151.46 157.31 42.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 p -89.43 32.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.82 79.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.07 169.81 12.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.371 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.5 m -135.81 129.9 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.0 p -88.39 132.43 34.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -115.73 165.89 12.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 49.1 mmm -112.45 123.47 50.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -74.96 128.23 35.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.4 t -113.94 -9.28 13.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -142.86 130.64 21.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 114.38 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -94.52 143.3 26.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -109.19 122.36 47.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -67.3 135.94 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -99.51 -25.24 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -122.36 150.2 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -49.48 -26.63 3.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 m -72.76 -47.45 46.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.9 162.97 10.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.465 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -136.79 142.62 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' HD12 ' A' ' 25' ' ' ILE . 93.1 p -98.47 133.06 43.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -126.9 150.97 73.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 168.25 22.1 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.37 98.7 11.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.08 31.08 0.23 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 m -131.49 169.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -108.66 147.98 31.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.3 m -140.13 152.75 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -105.4 122.68 46.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.4 t -83.02 102.15 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.8 mt -72.45 -61.94 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.42 178.52 4.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -151.75 123.58 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -91.91 156.1 17.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -81.17 5.79 15.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -100.78 -22.33 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.78 -10.67 8.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 74.5 m95 -93.02 115.57 28.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -106.98 147.76 29.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 52' ' ' GLU . 5.5 t80 -86.01 106.31 17.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -101.94 162.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 49' ' ' GLY . 65.4 ttt-85 -127.04 122.71 35.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -116.18 93.0 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.492 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . 75.51 -103.01 1.56 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -114.82 25.38 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -139.22 152.64 47.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 4.4 mp0 -135.06 123.45 23.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -135.33 161.33 24.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 89.1 m95 -90.29 108.49 19.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.69 145.99 34.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.71 137.8 36.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 p -62.54 -8.73 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -73.12 -39.16 65.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.805 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -76.45 -24.03 53.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.898 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.26 143.0 27.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.07 130.05 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.09 139.4 39.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.38 78.09 9.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -99.52 153.94 18.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -80.33 123.21 27.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.86 107.03 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -128.33 82.48 68.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.542 0.687 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 85.63 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -92.87 144.08 27.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -1.81 9.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.3 m 54.97 37.78 29.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.35 103.87 2.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -118.02 127.24 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.733 0.301 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -39.9 -38.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.4 p -141.15 167.6 21.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.61 -158.47 20.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 83.51 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.309 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.0 p -54.32 -176.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.6 m 55.73 42.53 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -85.63 160.84 19.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -43.39 115.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.0 -79.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 p -87.06 -33.44 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 m -104.56 100.81 10.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.91 -47.72 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.11 -176.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.55 HG21 ' CE1' ' A' ' 11' ' ' TYR . 89.3 m -143.23 113.67 7.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -84.35 134.91 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CE1' HG21 ' A' ' 9' ' ' THR . 2.8 m-85 -114.23 168.68 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.448 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 3.4 tpt -116.1 123.91 49.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -71.61 125.48 27.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -94.5 -11.29 29.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -158.71 161.48 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.79 122.12 26.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -105.2 138.5 41.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.56 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 14.2 tm0? -94.39 151.25 19.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -100.71 113.82 27.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.57 -43.77 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -106.37 143.14 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -48.5 -32.78 8.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.1 m -61.81 -34.35 75.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.73 169.2 15.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.472 ' C ' ' CD1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -140.58 140.44 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' HD13 ' A' ' 25' ' ' ILE . 98.5 p -95.13 134.02 38.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.786 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -125.65 148.2 61.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 172.05 13.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.53 103.1 15.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 129.77 30.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.442 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.3 m -132.28 148.87 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -86.7 149.8 24.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -141.04 153.57 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -105.88 134.77 48.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.501 HG23 ' CE1' ' A' ' 11' ' ' TYR . 53.4 t -99.28 111.25 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.8 mt -80.61 -63.19 1.46 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -123.12 169.27 11.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 44.4 mttp -141.16 143.36 34.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -113.86 131.23 56.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -40.49 -41.02 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.1 p -48.44 -48.45 37.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.77 -29.46 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.492 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 81.6 m95 -72.89 121.79 20.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 26.0 m0 -110.75 139.26 46.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.2 t80 -76.78 106.28 8.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.69 170.34 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -136.11 122.5 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -119.25 94.27 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.59 -106.47 2.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -116.12 24.67 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -137.04 153.67 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 23.3 mp0 -132.52 121.94 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -136.1 156.08 22.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -81.95 106.31 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.729 0.299 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.18 144.62 29.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.74 143.75 51.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.559 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 60.4 p -69.25 -22.15 63.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -66.14 -40.8 90.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 21.6 m-85 -74.45 -9.41 58.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.7 mt -104.67 143.51 32.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 12' ' ' MET . 29.0 m -99.0 136.44 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -148.81 106.29 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' LEU . 2.7 t70 34.84 32.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' LEU . 11.9 tt0 -118.95 -65.14 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -50.41 -56.84 9.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -157.0 128.51 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -59.44 145.66 81.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 166.86 26.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.254 . . . . 0.0 112.326 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.45 80.65 6.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.591 0.71 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 149.69 67.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.1 m -77.94 -51.53 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.03 94.98 1.62 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -92.83 110.16 21.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -87.32 -53.31 4.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 64.0 m -126.18 134.66 51.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.88 -158.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -32.48 18.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.6 t -58.99 163.57 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.4 t -127.18 101.17 6.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -47.53 131.02 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 p -64.67 163.71 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.21 85.88 0.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -128.07 -59.94 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p 40.14 43.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.33 -117.52 0.46 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.76 177.73 11.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.5 m -111.87 123.65 50.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -93.3 137.09 32.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.49 ' CE1' HG23 ' A' ' 35' ' ' VAL . 6.0 m-85 -114.49 173.05 6.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.467 ' HE1' ' N ' ' A' ' 31' ' ' VAL . 3.5 tpt -114.31 144.91 42.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.449 HG21 ' CD1' ' A' ' 27' ' ' PHE . 25.9 p -96.11 122.49 39.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.16 -16.17 18.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -143.19 156.92 44.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.69 118.25 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -100.16 142.21 31.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -101.24 139.73 36.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -76.67 118.07 18.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.53 -47.21 78.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -122.67 168.2 12.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -51.58 -37.93 52.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -59.58 -49.29 78.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.34 164.79 12.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -140.56 140.16 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' HD11 ' A' ' 25' ' ' ILE . 88.4 p -93.88 135.64 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.449 ' CD1' HG21 ' A' ' 13' ' ' THR . 7.9 p90 -128.63 145.52 56.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.2 19.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.304 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.84 102.19 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.7 29.96 0.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' N ' ' HE1' ' A' ' 12' ' ' MET . 12.1 m -133.92 160.36 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -105.91 144.21 32.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.68 163.63 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -111.72 121.12 44.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.49 HG23 ' CE1' ' A' ' 11' ' ' TYR . 87.5 t -81.74 116.26 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 45' ' ' TYR . 39.8 mt -85.76 -61.77 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -131.73 155.8 47.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -121.96 141.91 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -117.29 128.13 54.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -37.34 -47.66 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.7 p -41.23 -46.46 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.74 -31.66 2.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 80.2 m95 -70.64 116.92 11.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.556 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 36.0 m0 -104.43 140.42 37.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 4.1 t80 -81.68 110.45 17.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 m -107.28 169.64 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -131.13 121.02 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -118.6 91.98 3.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.04 -122.73 6.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -96.63 26.82 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.2 mt -142.31 159.57 41.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -140.34 125.58 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -137.76 166.73 25.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 83.1 m95 -95.53 114.18 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.03 145.91 35.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.1 Cg_endo -69.77 138.63 38.23 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.287 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.556 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 54.2 p -64.16 -16.59 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -64.1 -31.61 72.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 6.4 m-85 -84.18 -36.67 22.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.73 142.74 48.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.1 t -86.93 121.53 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.11 160.39 15.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.93 37.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 65' ' ' ASN . 2.6 pp20? -96.25 174.48 6.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' GLU . 4.1 t-20 -37.28 120.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.76 159.03 31.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -107.05 149.82 39.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 85.28 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -156.06 160.41 30.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 112.64 3.14 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -85.8 178.99 7.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -141.8 58.11 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 16.6 tptm -146.45 151.57 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 3.3 tp10 -119.38 142.74 47.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.7 p -168.67 157.3 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.43 173.26 26.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 126.35 13.23 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.626 2.218 . . . . 0.0 112.371 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.4 m -74.76 -60.14 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.4 p -48.31 127.8 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -135.96 146.95 47.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -73.9 105.09 5.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.92 58.29 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -115.63 86.39 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 p -75.48 122.23 23.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.16 158.98 14.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.48 171.04 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.538 HG22 ' CE1' ' A' ' 11' ' ' TYR . 74.7 m -124.38 130.22 52.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 t -92.61 132.99 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE1' HG22 ' A' ' 9' ' ' THR . 8.4 m-85 -115.56 176.75 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 ttm -123.38 130.91 53.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -81.93 129.86 34.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.421 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 31.6 p -101.68 -19.22 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -139.69 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.12 125.5 29.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -102.26 137.9 39.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -104.36 121.17 42.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 150.29 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 21' ' ' GLN . 11.5 p -110.32 -40.48 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' N ' HG12 ' A' ' 20' ' ' VAL . 61.2 mt-30 -112.53 150.78 30.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -46.67 -29.42 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m -65.64 -46.85 77.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 1.4 mp0 -72.27 161.79 30.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.3 140.72 41.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' HD12 ' A' ' 25' ' ' ILE . 53.9 p -91.97 131.0 37.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -125.81 147.63 59.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.75 15.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.58 109.38 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.02 30.99 1.05 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.26 151.04 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -93.32 144.02 25.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 m -134.37 173.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -123.71 120.91 34.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG13 ' NZ ' ' A' ' 38' ' ' LYS . 77.3 t -82.43 109.98 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 mt -81.27 -52.07 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -133.38 161.74 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 25.0 mttm -132.55 135.72 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -107.65 159.37 16.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' SER . 19.0 mt-10 -66.22 -60.42 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' GLU . 23.2 t -35.37 -41.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.67 22.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -111.26 118.77 36.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 26.0 m0 -110.93 140.79 45.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.557 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 4.2 t80 -86.57 107.32 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -101.56 170.86 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -134.3 123.45 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -115.32 93.26 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.59 -102.8 2.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.93 -3.36 14.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' HD13 ' A' ' 51' ' ' LEU . 4.0 mp -106.47 166.23 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -145.58 123.38 11.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -137.45 159.08 24.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 92.5 m95 -88.1 117.09 26.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.787 0.327 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.61 144.79 34.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.5 Cg_endo -69.79 144.44 53.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.9 p -67.67 -13.4 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -69.36 -28.19 65.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.5 m-85 -89.87 -40.31 12.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.2 137.38 54.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 14' ' ' CYS . 95.4 t -84.76 118.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -137.17 142.97 42.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -47.9 -55.26 10.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -69.13 82.86 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -102.3 85.03 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -171.28 115.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -43.15 152.44 0.39 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.719 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 88.78 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -107.45 80.09 0.86 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 119.24 6.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 t -122.31 -48.47 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.15 79.6 0.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.13 45.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.737 0.303 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.68 100.72 13.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.4 m -81.96 -60.37 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.45 165.78 30.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 89.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.234 . . . . 0.0 112.305 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 62.2 m 40.22 40.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' GLY . 2.7 m -135.69 172.46 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -112.84 104.21 12.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -77.56 118.32 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.01 58.21 0.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 t -60.47 102.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 110.807 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -64.55 156.73 28.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.04 44.48 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.09 160.65 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.527 HG23 ' CE1' ' A' ' 11' ' ' TYR . 40.8 m -122.08 118.59 29.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.8 p -83.17 128.85 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.527 ' CE1' HG23 ' A' ' 9' ' ' THR . 4.3 m-85 -109.45 174.61 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 48.0 mmm -119.91 124.73 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.492 HG21 ' CD1' ' A' ' 27' ' ' PHE . 18.3 p -70.72 131.66 44.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.9 t -99.16 -12.66 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -153.37 161.96 41.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.68 121.12 25.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 10.2 t80 -99.9 153.81 18.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.496 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 6.1 tt0 -117.97 142.14 47.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -90.94 142.56 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -105.14 -31.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -122.72 158.69 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -52.99 -25.03 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -71.66 -45.76 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.69 160.34 31.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.464 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -137.67 142.02 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' HD12 ' A' ' 25' ' ' ILE . 72.3 p -96.4 134.82 39.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.492 ' CD1' HG21 ' A' ' 13' ' ' THR . 9.2 p90 -128.77 149.65 72.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 171.95 13.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.1 107.7 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.8 28.4 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.91 162.2 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -106.27 139.75 40.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 m -128.05 163.88 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -112.61 126.79 55.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.414 HG23 ' CD1' ' A' ' 11' ' ' TYR . 76.9 t -87.55 96.34 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.19 -48.93 74.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -144.65 165.2 28.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -133.25 150.89 51.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' GLU . 38.2 mt-30 -121.19 123.7 42.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' GLN . 3.2 tt0 -36.63 -43.28 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -44.49 -52.54 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.38 -30.06 1.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -75.58 124.47 27.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -109.78 150.64 28.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.535 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 3.2 t80 -92.31 105.96 18.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.07 161.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' CZ ' ' O ' ' A' ' 49' ' ' GLY . 1.2 tmt_? -127.16 122.61 34.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -116.24 101.0 8.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . 71.94 -99.29 0.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -122.1 27.69 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -139.19 155.4 47.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -134.1 119.01 18.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -130.66 163.5 23.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.535 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 95.4 m95 -94.88 107.61 19.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.29 144.56 30.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.548 0.689 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.81 133.73 26.17 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -59.59 -11.61 5.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -67.67 -31.81 72.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.532 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 6.6 m-85 -85.93 -25.58 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 mt -81.93 143.56 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.0 m -97.06 125.92 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 64' ' ' GLU . 4.9 mp -101.45 103.74 14.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER 34.09 33.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.6 tm-20 -73.4 -51.08 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -115.69 143.51 45.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.65 126.45 29.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -38.36 144.02 0.4 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 175.25 8.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -110.64 81.1 2.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.19 19.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.272 . . . . 0.0 112.347 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -169.21 170.35 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.79 59.71 1.06 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.17 135.27 51.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -130.36 142.3 50.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.8 p -96.63 -59.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.05 83.48 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 163.83 36.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -112.14 -178.98 3.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 m -74.99 138.16 42.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -68.72 126.48 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -131.86 -55.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 157.19 -51.02 0.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 21.4 t -36.57 -53.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -46.57 -50.27 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.24 -143.02 14.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.93 175.94 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.07 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.55 HG23 ' CE1' ' A' ' 11' ' ' TYR . 73.3 m -127.25 122.61 34.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -90.73 134.04 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.55 ' CE1' HG23 ' A' ' 9' ' ' THR . 8.4 m-85 -114.98 174.01 6.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 ttt -117.28 133.81 55.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 p -80.74 120.43 24.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.8 t -93.78 -12.08 29.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -147.92 157.02 43.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.89 111.67 18.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -94.73 136.71 34.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.585 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 3.0 pt20 -95.43 151.17 19.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -102.35 101.37 11.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.44 -23.96 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -115.8 150.98 36.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.69 -39.02 73.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 m -62.46 -41.54 98.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -72.89 160.94 31.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -134.3 140.26 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.416 ' C ' HD12 ' A' ' 25' ' ' ILE . 95.9 p -94.55 135.21 36.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -130.11 148.47 69.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 173.14 11.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 110.58 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.03 32.94 1.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -130.49 147.3 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -85.81 150.28 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.25 158.36 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.95 155.88 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 11' ' ' TYR . 96.8 t -117.58 99.04 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.2 mt -66.28 -55.02 18.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -138.86 165.32 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.492 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 43.3 mttp -132.65 137.74 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.03 125.28 50.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.71 -37.99 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 m -46.71 -50.89 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.03 -31.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 24.8 m95 -79.86 134.1 36.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.501 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 21.5 m0 -117.55 137.24 52.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CD1' ' CE2' ' A' ' 54' ' ' TRP . 4.5 t80 -72.7 105.37 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 m -101.26 173.0 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.3 ttp85 -139.97 121.96 15.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -117.25 98.26 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.05 -108.97 2.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.67 33.06 5.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.1 mt -147.56 145.88 29.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -126.06 122.31 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -132.79 167.01 23.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.572 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 90.4 m95 -98.14 115.78 28.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.54 145.55 39.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.71 138.3 37.64 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.734 2.289 . . . . 0.0 112.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.501 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 20.1 t -58.89 -30.17 67.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -53.38 -40.47 65.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.1 m-85 -73.92 -35.67 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.46 136.16 36.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.7 p -97.07 119.65 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.31 169.33 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -93.63 97.15 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 9.3 pt-20 -112.14 113.11 25.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m120 46.65 33.91 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -167.69 114.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.413 ' C ' ' HD3' ' A' ' 70' ' ' PRO . 27.9 mp0 -123.26 85.34 51.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.708 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 69' ' ' ASP . 53.5 Cg_endo -69.79 80.43 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 17.2 t70 35.19 52.23 1.46 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 69' ' ' ASP . 54.0 Cg_endo -69.74 134.78 28.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.221 . . . . 0.0 112.357 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.5 p -171.92 135.74 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -142.04 66.67 0.48 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -113.97 107.4 15.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -125.96 152.42 45.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 m -168.51 109.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.35 -96.26 0.37 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.7 Cg_endo -69.77 -46.59 1.16 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 77' ' ' PRO . 3.3 t -36.57 114.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.5 t -87.96 -60.2 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -86.82 174.63 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -130.86 121.62 25.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.71 86.71 1.74 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 23.1 m -120.72 117.24 26.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.6 m 36.79 43.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.5 122.27 25.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.432 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.82 175.16 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.6 m -123.92 126.69 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -95.9 141.3 29.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CD1' HG23 ' A' ' 35' ' ' VAL . 5.9 m-85 -122.25 174.44 6.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 42.2 mmm -122.82 123.64 41.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.0 p -68.88 125.1 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 43.1 t -94.31 -17.28 22.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -144.9 171.92 13.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.59 132.75 35.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.539 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -120.27 140.34 51.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.539 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 8.7 pt20 -102.93 147.53 26.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -79.6 128.65 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -93.16 -24.38 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -138.27 152.33 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -47.58 -25.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -73.22 -41.77 63.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.482 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 14.7 mp0 -72.81 169.51 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -139.71 138.88 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.2 125.92 36.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.475 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 6.4 p90 -124.55 146.37 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 177.65 5.32 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.3 97.2 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.5 34.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.3 167.82 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -106.23 144.93 32.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.3 146.62 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -96.6 126.28 41.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.437 HG23 ' CD1' ' A' ' 11' ' ' TYR . 34.8 t -86.17 101.28 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.89 -59.4 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -141.73 167.48 22.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HE2' ' CE3' ' A' ' 44' ' ' TRP . 44.4 mttt -127.96 147.49 50.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -116.7 136.79 52.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -44.44 -47.71 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.2 p -42.1 -44.78 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.12 -23.9 3.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -77.14 128.3 34.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.72 0.295 . . . . 0.0 110.955 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.509 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 38.9 m0 -112.65 144.27 42.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 52' ' ' GLU . 3.1 t80 -83.54 108.04 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.01 161.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -123.78 124.78 43.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -115.32 97.97 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.63 -95.03 0.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -124.03 24.3 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.7 mt -134.8 161.99 33.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 18.1 mt-10 -139.45 114.3 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.462 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -129.51 156.56 21.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -82.61 106.27 14.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.64 144.96 31.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.693 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.442 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.5 Cg_endo -69.79 136.23 32.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.509 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 80.1 p -63.64 -16.68 61.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -65.98 -33.11 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.442 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.2 m-85 -83.96 -31.2 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.3 mt -74.19 158.6 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 14' ' ' CYS . 59.4 t -108.52 122.59 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' GLU . 4.2 mp -100.84 100.96 11.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 t70 39.15 25.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' LEU . 22.0 tp10 -105.35 54.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -124.92 119.02 27.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLN . 58.2 mm-40 -85.46 95.65 9.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' GLU . 3.0 pt20 -37.14 146.76 0.23 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.575 0.702 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 151.31 69.34 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.403 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 70' ' ' PRO . 12.5 t70 -52.05 139.76 33.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.637 0.732 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 69' ' ' ASP . 54.0 Cg_endo -69.68 135.03 29.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -133.68 160.64 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.6 156.54 42.77 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.31 143.06 26.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.731 0.301 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -65.64 92.66 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 m -77.3 153.22 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.19 153.47 21.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 86.83 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.0 m -56.06 -49.82 72.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -42.54 -61.48 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.502 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 50.16 42.61 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 t -119.07 -52.17 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.92 102.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -74.19 -50.84 17.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -132.55 134.43 44.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.16 -91.35 2.02 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.07 171.56 13.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.47 HG23 ' CE1' ' A' ' 11' ' ' TYR . 53.8 m -132.43 138.57 47.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 9' ' ' THR . 47.2 p -96.59 136.7 36.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.47 ' CE1' HG23 ' A' ' 9' ' ' THR . 11.4 m-85 -119.22 171.33 8.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.462 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 24.9 mmm -114.59 135.91 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 p -85.1 119.12 25.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.4 t -94.63 -1.27 53.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -157.03 154.62 29.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.19 115.47 20.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CZ ' ' O ' ' A' ' 18' ' ' GLN . 3.5 t80 -93.73 152.85 18.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.538 ' O ' ' CZ ' ' A' ' 17' ' ' TYR . 10.7 tp-100 -114.06 140.68 48.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -82.55 125.92 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -84.85 -22.06 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -147.22 155.49 42.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -45.32 -35.35 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.3 m -59.16 -38.83 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 12.5 mp0 -84.83 164.29 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.483 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -135.84 139.55 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' HD13 ' A' ' 25' ' ' ILE . 59.2 p -98.19 129.04 44.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -123.37 156.5 63.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 168.36 21.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.18 104.77 17.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.13 32.98 0.56 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.437 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.4 m -132.4 157.05 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -94.51 145.66 24.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.46 168.43 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -115.57 130.11 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -92.6 99.29 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' ' OE1' ' A' ' 52' ' ' GLU . 88.1 mt -63.14 -52.11 63.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 21.9 tp10 -147.34 161.04 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 47.8 mttp -124.41 138.82 54.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -108.25 125.51 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -42.28 -37.3 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.0 m -47.71 -55.8 8.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.45 -32.27 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -78.99 129.53 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.4 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 43.0 m0 -113.01 142.5 45.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.57 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 4.6 t80 -81.21 110.07 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.73 162.34 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -126.92 121.07 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -119.44 91.92 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.83 -130.43 14.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -87.39 30.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -148.05 155.62 41.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 36' ' ' LEU . 26.1 mt-10 -137.84 126.83 24.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.463 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -136.46 167.77 24.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 92.1 m95 -96.0 109.99 22.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.84 146.39 35.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.527 0.679 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.76 141.51 45.45 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.4 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 77.0 p -66.41 -7.39 19.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -72.9 -33.72 66.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.7 m-85 -79.42 -25.26 42.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.1 mt -87.98 151.39 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 12' ' ' MET . 5.9 m -103.26 129.79 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.4 mp -98.57 116.11 30.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.37 84.92 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -121.95 42.24 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -80.99 -49.65 10.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -95.21 142.16 27.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.22 145.73 0.47 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 127.67 14.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.65 2.233 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 70' ' ' PRO . 9.1 t70 -79.43 139.83 55.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 69' ' ' ASP . 53.7 Cg_endo -69.79 95.24 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 m -155.02 150.53 27.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.98 -100.65 0.76 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 pttt 41.69 43.13 2.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -110.66 155.29 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -48.79 158.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 153.46 82.95 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -173.69 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -166.43 155.15 10.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.0 m 52.46 42.11 31.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m -98.23 118.9 35.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.793 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -107.14 -45.37 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.07 -178.92 18.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -82.23 87.45 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -78.55 87.22 4.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.88 58.07 0.64 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.66 174.64 9.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.4 HG23 ' CE1' ' A' ' 11' ' ' TYR . 69.8 m -136.62 124.16 22.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -84.72 137.99 32.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CD1' HG21 ' A' ' 35' ' ' VAL . 6.4 m-85 -120.06 177.46 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.402 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 14.2 mtp -119.1 137.41 53.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.551 HG22 ' CD1' ' A' ' 27' ' ' PHE . 69.8 p -85.55 129.28 34.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.9 t -93.79 -12.13 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -157.55 169.44 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.86 128.91 34.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -102.57 140.91 36.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -105.56 128.75 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 140.71 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.83 -38.31 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -109.68 157.72 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -54.87 -27.85 45.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -67.58 -51.54 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.78 162.28 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.46 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -138.12 139.5 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.425 ' C ' HD11 ' A' ' 25' ' ' ILE . 64.1 p -93.66 134.5 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.551 ' CD1' HG22 ' A' ' 13' ' ' THR . 6.7 p90 -130.02 150.05 74.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.48 14.39 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.229 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.56 107.5 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.25 23.26 1.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.63 141.8 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -76.37 168.78 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.5 m -150.65 154.36 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -101.59 117.74 35.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 11' ' ' TYR . 98.7 t -84.28 105.73 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.2 mt -77.98 -61.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -127.86 159.15 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -129.32 144.37 51.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -116.77 139.7 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -52.1 -42.93 63.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.5 p -45.41 -43.09 10.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.34 -18.37 3.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.48 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 81.0 m95 -82.45 122.57 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.51 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 44.1 m0 -111.26 142.46 43.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -85.49 107.05 17.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.75 164.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -127.71 121.19 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -112.84 94.84 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.35 -99.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -118.47 31.29 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 mt -143.33 156.44 44.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -138.22 116.47 11.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' N ' HG21 ' A' ' 25' ' ' ILE . . . -130.65 165.01 22.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -92.73 114.06 26.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.1 149.28 46.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.582 0.706 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.546 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.7 132.97 24.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.51 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 16.2 t -58.41 -16.8 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -66.28 -34.19 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 5.4 m-85 -82.42 -26.54 32.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.5 mt -75.5 148.2 39.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.43 ' CG1' ' HB3' ' A' ' 64' ' ' GLU . 59.3 t -102.5 123.73 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 64' ' ' GLU . 4.1 mp -101.56 102.43 13.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER 34.18 33.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 62' ' ' LEU . 9.1 tt0 -86.48 -48.16 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -100.38 127.62 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -166.19 174.7 8.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -66.89 147.29 99.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 96.18 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.12 148.41 12.06 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 91.77 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.3 t -45.35 166.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.93 -36.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -69.45 149.87 47.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -127.63 137.58 52.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.0 p -101.45 -5.17 25.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.13 146.4 3.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 158.49 56.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 t -103.94 164.44 11.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.7 p -103.99 -52.9 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.472 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -91.27 82.69 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -40.5 -54.87 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.96 178.35 17.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.538 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -131.57 149.12 52.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -121.4 42.4 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.11 -178.6 19.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.75 179.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.511 HG22 ' CE1' ' A' ' 11' ' ' TYR . 45.3 m -135.43 121.59 20.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 p -87.21 128.56 35.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CD1' HG22 ' A' ' 35' ' ' VAL . 15.1 m-85 -112.3 172.56 6.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.2 mmm -117.18 128.07 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.523 HG21 ' CE2' ' A' ' 27' ' ' PHE . 25.9 p -73.29 125.98 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.6 t -95.21 -10.77 29.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m -153.24 160.62 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.09 122.17 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.415 ' CE2' ' HD3' ' A' ' 56' ' ' PRO . 1.1 t80 -98.8 125.42 44.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -90.67 118.0 29.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -68.88 149.08 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.6 p -118.23 -22.63 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -121.8 151.13 40.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -53.26 -31.8 45.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 m -66.3 -51.44 57.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.48 159.87 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -132.33 139.75 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' C ' HD11 ' A' ' 25' ' ' ILE . 92.7 p -92.61 135.02 34.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.523 ' CE2' HG21 ' A' ' 13' ' ' THR . 13.1 p90 -130.64 147.6 66.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.687 0.756 . . . . 0.0 110.842 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 170.83 15.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.48 101.79 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.45 33.71 0.39 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -131.68 155.55 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -97.96 144.34 27.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 m -131.96 176.14 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -127.94 115.96 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 11' ' ' TYR . 78.3 t -77.55 92.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.58 -47.42 85.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -148.84 155.07 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 14.1 mtmt -120.9 135.69 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -101.11 146.31 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.3 -35.55 75.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 m -51.78 -65.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.56 -32.78 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -78.25 131.61 37.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.725 0.298 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.561 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 43.3 m0 -113.46 150.64 32.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.532 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 3.7 t80 -88.43 106.71 18.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -99.91 172.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -139.32 120.92 15.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -116.66 95.28 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.53 -104.58 2.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -112.19 -4.62 14.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 51' ' ' LEU . 4.6 mp -104.23 159.03 16.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -138.91 123.94 18.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -137.24 170.92 23.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.532 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 90.5 m95 -99.54 107.43 19.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.52 146.06 32.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.77 128.36 15.91 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.387 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 p -54.48 -25.22 24.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -57.54 -34.46 69.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.513 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.7 m-85 -80.0 -36.35 36.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -70.95 152.19 43.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.9 t -99.41 97.18 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.07 161.96 13.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -64.06 80.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' ASN . 9.2 tp10 -106.11 156.05 18.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' GLU . 55.1 m-20 -35.74 -40.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -106.96 79.44 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -115.12 148.32 40.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.72 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -170.69 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -111.94 77.47 2.0 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.81 55.11 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' GLY . 39.4 t -87.73 119.22 27.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' SER . . . -36.13 110.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -68.58 139.78 55.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -40.31 127.27 2.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.0 m -65.65 90.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.06 148.54 18.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -37.85 8.6 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.5 m 45.9 48.9 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.6 m -81.09 135.7 35.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -81.29 -49.05 11.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.899 0.38 . . . . 0.0 110.843 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -60.65 85.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.61 -54.63 2.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -84.07 36.1 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -99.05 106.26 18.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.62 71.46 0.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.27 -175.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.551 HG23 ' CE1' ' A' ' 11' ' ' TYR . 35.8 m -124.59 126.15 45.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -94.81 136.56 34.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CE1' HG23 ' A' ' 9' ' ' THR . 10.1 m-85 -118.91 167.13 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 93.4 mmm -112.22 129.95 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.512 HG23 ' CE2' ' A' ' 27' ' ' PHE . 19.0 p -80.06 111.18 16.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.8 t -86.33 -10.38 54.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -151.91 147.52 26.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.89 130.84 41.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -102.93 143.94 31.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -107.13 120.58 42.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.33 131.04 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 21' ' ' GLN . 13.7 p -99.59 -27.58 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' N ' HG12 ' A' ' 20' ' ' VAL . 35.6 mm-40 -109.84 168.17 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -73.63 -32.47 64.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.8 m -65.55 -40.2 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -74.89 169.21 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.465 ' C ' ' CD1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -141.44 140.15 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' HD13 ' A' ' 25' ' ' ILE . 28.6 p -93.56 133.25 37.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.512 ' CE2' HG23 ' A' ' 13' ' ' THR . 7.7 p90 -125.5 153.36 72.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 170.25 16.97 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.92 101.36 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.98 31.5 0.63 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.24 167.09 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -104.8 141.3 36.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.25 146.44 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -94.33 125.87 39.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG22 ' CD1' ' A' ' 11' ' ' TYR . 55.6 t -87.53 104.18 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 ' CD2' ' A' ' 45' ' ' TYR . 77.3 mt -67.34 -61.95 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -138.42 168.35 19.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -126.87 145.4 50.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -112.64 127.36 56.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -39.05 -38.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t -52.99 -47.67 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.914 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.86 -16.08 2.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.495 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 78.9 m95 -83.75 123.98 30.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 25.4 m0 -110.68 140.21 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.555 ' CD2' HD11 ' A' ' 36' ' ' LEU . 3.5 t80 -81.98 107.21 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.56 171.68 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -131.99 126.89 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -120.66 92.78 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.31 -100.21 1.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.527 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -119.25 34.23 5.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.9 mt -148.77 159.69 43.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 6.0 mp0 -139.88 124.9 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -137.77 162.32 25.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -87.03 109.54 19.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.73 144.07 28.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.585 0.707 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.8 128.56 16.17 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.474 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.3 p -56.76 -13.06 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -66.9 -33.32 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.513 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.0 m-85 -83.74 -38.4 21.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.58 136.91 45.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 64' ' ' GLU . 12.6 p -93.78 126.44 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -95.89 100.82 12.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' LEU . 4.1 t0 35.08 33.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' LEU . 10.8 tt0 -97.98 163.08 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' GLU . 23.2 m-20 -37.15 102.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -140.52 133.5 29.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -39.8 144.43 0.51 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 141.85 46.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -115.6 149.21 42.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -23.3 30.9 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.652 2.235 . . . . 0.0 112.374 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.6 p -42.84 -48.28 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.75 170.12 0.58 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.72 156.35 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -126.47 112.92 16.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -115.88 142.42 46.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.83 -158.15 13.28 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 134.41 27.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.283 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 t 73.34 34.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -38.87 135.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -111.66 166.9 10.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -59.79 130.68 47.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.63 117.87 5.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 p -107.34 148.04 29.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 m -77.19 88.01 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.31 47.81 1.0 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.54 -176.71 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.46 HG23 ' CE1' ' A' ' 11' ' ' TYR . 91.9 m -139.95 115.79 10.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.7 p -82.98 137.58 34.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.567 ' CD1' HG23 ' A' ' 35' ' ' VAL . 3.4 m-85 -114.27 173.48 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.424 ' HE1' ' N ' ' A' ' 31' ' ' VAL . 3.9 tpt -113.53 143.26 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' A' ' 12' ' ' MET . 6.4 p -97.08 123.59 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.17 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 61' ' ' VAL . 2.0 m -91.99 -22.87 19.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -141.49 159.56 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.17 126.44 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.501 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 2.9 t80 -103.96 141.89 35.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.501 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 57.6 tp60 -102.37 146.77 27.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -100.55 122.76 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -91.01 -29.6 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -115.23 152.09 33.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -53.53 -33.51 54.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 m -63.63 -49.93 71.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.81 162.41 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -136.7 144.06 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.416 ' C ' HD11 ' A' ' 25' ' ' ILE . 67.5 p -97.11 130.88 44.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -125.07 148.82 61.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.85 15.54 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.11 99.99 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.62 29.9 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.424 ' N ' ' HE1' ' A' ' 12' ' ' MET . 17.0 m -129.49 167.4 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -109.35 151.34 26.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.69 166.66 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -113.78 120.65 41.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.567 HG23 ' CD1' ' A' ' 11' ' ' TYR . 77.4 t -82.86 106.43 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.66 -53.0 6.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -122.21 157.23 32.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -137.15 125.75 23.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' GLU . 12.0 mt-30 -97.17 118.46 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' GLN . 55.9 mt-10 -34.65 -38.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 m -49.68 -60.81 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.89 -25.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -79.59 129.31 34.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.752 0.31 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -117.24 143.99 45.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 5.3 t80 -82.27 105.83 13.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 m -101.63 169.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -130.0 122.48 28.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -118.55 107.01 13.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.62 -107.49 2.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -117.23 36.28 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 mt -149.21 167.66 25.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 49.9 mt-10 -141.1 123.35 15.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -132.76 154.92 21.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 95.1 m95 -85.77 110.17 19.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.95 144.87 31.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.583 0.706 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.515 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.76 150.15 67.85 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -70.59 -28.11 64.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -54.64 -36.9 65.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.515 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 8.1 m-85 -81.34 -43.69 18.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.51 146.63 54.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.41 ' CG2' ' SG ' ' A' ' 14' ' ' CYS . 78.1 t -88.69 116.17 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.47 170.64 11.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -83.39 37.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -80.64 130.1 34.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -64.62 103.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -124.23 165.74 17.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -72.84 136.2 80.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.579 0.704 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.85 48.18 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -116.88 80.8 11.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 96.11 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.403 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -103.9 -49.7 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.23 152.84 28.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -87.57 133.01 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -102.29 82.64 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 p -63.29 -58.98 5.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.39 83.43 0.78 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -31.61 20.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t 45.46 51.74 9.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 t -131.06 104.75 7.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -71.51 107.77 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -107.02 166.9 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.71 107.69 3.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -106.23 86.28 2.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.368 . . . . 0.0 110.842 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -91.52 172.07 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.87 -69.86 0.3 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.34 170.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.533 HG21 ' CE1' ' A' ' 11' ' ' TYR . 37.8 m -132.79 126.55 32.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -88.33 141.2 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.533 ' CE1' HG21 ' A' ' 9' ' ' THR . 7.4 m-85 -121.55 168.64 11.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.414 ' CE ' ' HA2' ' A' ' 30' ' ' GLY . 5.1 tpt -112.47 124.5 52.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 p -73.96 133.56 43.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.7 t -96.56 -19.67 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 t -151.96 165.86 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.87 130.6 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -109.16 145.57 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -109.79 126.97 54.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -69.59 145.46 52.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.39 -21.92 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -133.13 153.17 51.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -49.53 -25.6 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -70.74 -45.3 65.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -71.62 164.61 25.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.455 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -137.91 138.83 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.416 ' C ' HD11 ' A' ' 25' ' ' ILE . 83.1 p -91.2 130.51 37.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -125.73 148.7 63.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.709 0.766 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 169.54 18.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.13 103.64 16.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 130.49 30.76 0.59 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -131.24 147.32 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -92.39 138.63 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.44 170.58 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -117.85 120.07 36.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG22 ' CE1' ' A' ' 11' ' ' TYR . 22.3 t -81.75 104.96 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.7 mt -70.61 -59.48 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -133.0 157.41 45.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 65.3 mttt -123.58 142.56 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -114.26 128.86 56.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -45.0 -30.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 m -51.88 -50.34 61.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.62 -17.24 2.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 30.3 m95 -94.89 132.85 39.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.401 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 28.5 m0 -114.07 154.05 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -92.08 106.83 18.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.34 165.5 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -129.91 125.52 35.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -119.02 94.79 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.03 -99.53 1.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -122.64 24.65 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.2 mt -136.2 156.04 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -134.04 120.35 20.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.452 ' N ' HG21 ' A' ' 25' ' ' ILE . . . -132.64 156.95 22.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -85.94 103.94 15.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.76 0.314 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.75 147.56 34.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.74 126.72 13.66 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -54.14 -20.93 7.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -66.54 -37.71 85.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 10.8 m-85 -80.01 -12.22 59.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -95.54 137.4 34.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 12' ' ' MET . 27.2 t -92.84 129.38 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -83.88 100.97 11.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' LEU . 8.6 t0 34.15 33.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 62' ' ' LEU . 15.6 mt-10 -120.77 -178.56 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' GLU . 21.7 m120 35.51 50.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -119.86 71.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -94.31 155.33 39.95 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 140.38 42.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.63 2.22 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -107.64 80.11 0.91 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.638 0.733 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -16.71 37.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.373 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.1 p -62.63 84.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.76 105.94 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 97.84 10.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -60.35 132.45 53.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.7 p -63.24 143.69 57.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -108.66 146.29 16.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 157.39 60.5 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.6 t -141.2 138.41 33.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.1 p -81.67 156.2 25.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -127.21 174.21 9.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -172.83 154.96 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.22 177.47 14.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -107.48 175.03 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 p -96.26 143.17 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.58 -93.81 0.37 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.74 -175.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.916 0.389 . . . . 0.0 111.068 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.472 HG22 ' CE1' ' A' ' 11' ' ' TYR . 52.5 m -161.07 131.72 5.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -94.08 144.45 25.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CE1' HG22 ' A' ' 9' ' ' THR . 1.8 m-85 -123.27 171.94 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.464 ' HB3' ' CG1' ' A' ' 61' ' ' VAL . 5.3 tpt -117.37 123.77 47.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.7 p -75.15 114.34 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.6 p -94.54 -13.19 26.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.528 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 38.4 p -138.78 163.12 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.02 113.75 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -90.3 153.85 20.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -122.72 122.44 38.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 133.14 44.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 21' ' ' GLN . 7.7 p -89.45 -43.24 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' HG13 ' A' ' 20' ' ' VAL . 14.6 mm100 -117.47 170.16 8.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.97 -33.35 70.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -59.04 -48.47 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -74.5 167.4 21.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -141.05 139.17 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' HD11 ' A' ' 25' ' ' ILE . 5.9 p -91.25 133.43 35.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -127.99 145.41 55.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.46 21.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.79 100.5 12.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.4 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 134.67 32.71 0.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.67 149.99 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -92.77 145.59 24.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.91 175.47 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -127.42 116.42 20.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -76.39 101.96 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 45' ' ' TYR . 95.8 mt -69.33 -63.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -126.27 152.28 46.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 60.6 mttt -120.63 130.5 54.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -103.11 129.75 50.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -43.65 -36.74 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.9 m -48.23 -56.02 9.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.25 -26.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -82.48 132.03 35.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.309 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 20.0 m0 -116.73 138.99 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.55 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 7.6 t80 -75.24 106.48 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.33 170.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' HG3' ' CG ' ' A' ' 52' ' ' GLU . 59.8 ttt180 -134.85 121.09 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -119.07 91.96 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.95 -125.86 11.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -90.63 31.08 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.1 mt -148.55 156.0 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' CG ' ' HG3' ' A' ' 47' ' ' ARG . 19.7 mt-10 -142.13 126.51 17.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -137.02 171.78 22.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.55 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 94.2 m95 -97.21 115.14 27.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.67 148.74 46.76 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.79 145.06 55.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.513 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 85.0 p -67.38 -21.36 65.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -60.46 -43.26 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.4 m-85 -70.74 -33.46 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.983 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.3 mt -83.36 139.45 33.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 12' ' ' MET . 11.6 p -99.63 124.94 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.33 106.76 18.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 64' ' ' GLU . 18.9 t0 -87.19 31.58 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' ASP . 4.2 pm0 -35.81 -35.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 63' ' ' ASP . 70.2 m-80 -39.14 -67.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -147.15 131.86 17.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -152.77 135.76 9.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.549 0.69 . . . . 0.0 110.943 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 134.44 28.02 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -130.17 80.06 71.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -47.75 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.266 . . . . 0.0 112.37 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -173.96 161.49 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.54 65.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -117.07 123.27 46.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -104.52 121.63 43.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -77.77 -47.55 18.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.23 -92.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 116.61 4.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' SER . 58.5 m -122.37 148.76 44.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' SER . 2.0 m -36.82 137.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -43.9 -48.22 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -169.99 158.95 7.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.57 86.5 1.61 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -112.48 -54.63 2.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m -81.53 99.55 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.18 -98.95 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.0 174.05 11.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 11' ' ' TYR . 59.4 m -132.55 136.05 46.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.7 p -97.72 133.82 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 9' ' ' THR . 2.1 m-85 -115.05 170.17 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.448 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 18.2 tpp -115.41 129.47 56.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.442 HG22 ' CD1' ' A' ' 27' ' ' PHE . 43.3 p -75.21 122.51 23.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.8 -24.34 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -145.92 174.91 10.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.65 118.91 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -89.69 135.19 33.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -98.5 122.39 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -82.06 154.15 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 p -121.14 -45.83 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -100.37 152.51 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -51.91 -31.05 26.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -65.1 -47.45 77.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -68.3 166.22 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.47 143.36 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.418 ' C ' HD12 ' A' ' 25' ' ' ILE . 37.0 p -96.58 136.12 37.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.442 ' CD1' HG22 ' A' ' 13' ' ' THR . 17.3 p90 -131.76 147.49 66.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.687 0.756 . . . . 0.0 110.832 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 174.48 9.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.03 96.74 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.41 32.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.03 156.2 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -95.99 140.69 30.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.23 154.78 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -98.71 159.23 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.528 HG22 ' CD1' ' A' ' 11' ' ' TYR . 75.7 t -120.9 106.64 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.6 mt -76.84 -60.1 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -124.88 150.3 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.579 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 22.5 mtmm -135.34 123.06 22.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -94.07 138.7 31.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -47.96 -38.43 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.6 m -48.73 -59.44 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.1 -33.35 0.47 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -69.94 118.14 12.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.739 0.304 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.579 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 50.9 m0 -112.13 143.37 43.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CD1' ' CD1' ' A' ' 54' ' ' TRP . 2.6 t80 -84.92 109.15 17.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -105.2 173.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -139.12 121.01 15.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -113.22 94.56 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.17 -99.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' CG ' HD11 ' A' ' 51' ' ' LEU . 11.3 pt-20 -115.22 -1.46 12.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 HD11 ' CG ' ' A' ' 50' ' ' GLU . 3.8 mp -107.3 152.11 24.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -134.1 122.56 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.469 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -135.52 170.8 22.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.476 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 82.3 m95 -101.0 106.74 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.96 145.0 31.52 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.566 0.698 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.0 Cg_endo -69.75 148.37 64.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.406 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 98.1 p -70.19 -24.07 63.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -55.12 -39.46 69.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.6 m-85 -74.89 -38.68 61.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 mt -69.52 141.1 53.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 12' ' ' MET . 16.7 m -97.64 127.16 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -144.99 121.21 10.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.33 37.8 3.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.45 113.24 1.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.17 40.83 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -124.64 152.33 43.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.437 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 10.1 tt0 -47.77 138.54 9.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.77 172.19 13.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -117.51 147.41 40.68 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.657 0.742 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 116.09 4.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 0.0 112.373 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.5 t -87.66 151.51 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.62 -112.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -165.06 138.77 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 5.0 pt-20 -110.15 146.38 35.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.9 m -140.64 148.57 41.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -108.79 -158.45 19.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.529 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 175.96 7.43 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -161.65 148.75 14.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.4 p 43.09 42.36 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.444 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -79.16 120.64 23.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 p -81.22 -53.18 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.26 -142.99 16.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.426 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -64.08 178.52 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -84.88 40.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.67 79.12 1.42 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.54 -175.65 3.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.8 m -117.99 135.18 54.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -102.94 135.83 43.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.541 ' CE1' HG21 ' A' ' 35' ' ' VAL . 7.5 m-85 -117.28 170.85 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.9 tpp -116.97 124.67 49.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.488 HG23 ' CE1' ' A' ' 27' ' ' PHE . 19.1 p -71.75 126.09 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.2 t -97.76 -0.94 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -159.68 152.89 22.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.24 113.49 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 1.1 t80 -95.02 144.97 25.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 8.4 tp60 -102.87 146.28 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -87.08 137.08 32.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 21' ' ' GLN . 20.1 m -90.09 -37.28 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 4.7 mt-30 -140.55 156.61 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -39.55 -34.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 m -59.04 -46.32 88.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 21' ' ' GLN . 42.7 mp0 -81.13 161.02 24.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -134.81 139.7 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -94.57 135.97 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CE1' HG23 ' A' ' 13' ' ' THR . 5.8 p90 -129.08 151.54 77.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.75 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 168.21 22.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.9 100.58 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.72 35.08 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.64 171.68 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.323 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 33' ' ' VAL . 28.7 tt0 -113.36 150.54 32.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.41 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 3.5 m -140.6 168.55 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -113.77 121.52 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 11' ' ' TYR . 88.5 t -83.37 100.25 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.09 -58.86 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -134.37 160.07 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -127.82 137.61 52.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' GLU . 42.8 mt-30 -110.04 122.21 47.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' GLN . 2.8 pp20? -37.67 -38.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -45.48 -58.08 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.4 -31.51 0.53 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.443 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 50.0 m95 -79.79 130.77 35.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.512 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 35.9 m0 -115.92 143.05 45.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.547 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 5.8 t80 -78.98 109.33 13.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -102.65 166.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -130.89 121.27 24.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -112.09 91.92 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.81 -109.15 2.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.04 -8.77 27.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.467 ' N ' HD13 ' A' ' 51' ' ' LEU . 3.0 mp -103.72 166.5 10.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -149.7 125.56 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 25' ' ' ILE . . . -137.9 172.87 22.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.547 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 84.8 m95 -101.46 110.35 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.23 145.98 35.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.3 Cg_endo -69.77 140.88 43.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.512 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 60.8 p -63.04 -18.53 63.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -63.4 -37.16 86.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.0 m-85 -78.72 -32.95 47.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.2 mt -74.84 147.83 40.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -93.41 118.05 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mt -91.61 -176.73 4.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.87 95.2 8.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.3 156.54 36.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -46.62 99.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -150.89 134.0 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.5 146.82 6.42 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.615 0.721 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 165.51 30.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.35 149.61 38.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -7.33 20.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.328 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t -61.0 151.71 29.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.16 -85.11 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.535 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm 64.57 45.63 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.304 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.47 135.75 35.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -83.83 -48.71 9.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.32 146.28 15.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 145.47 57.35 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.644 2.229 . . . . 0.0 112.348 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 t -164.18 148.98 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.5 m -150.02 130.63 13.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.549 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 m -75.79 100.2 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 55.64 26.22 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.34 -65.49 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -104.04 157.46 17.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -166.79 142.22 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.41 -116.23 0.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.82 175.83 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -139.86 132.32 28.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -93.48 130.28 39.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CD1' HG23 ' A' ' 35' ' ' VAL . 3.4 m-85 -108.05 174.65 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.1 mmm -120.35 122.5 40.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -74.98 139.09 42.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 48.3 t -113.43 -11.19 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -146.66 150.4 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.39 112.91 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.16 134.87 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -98.32 132.26 43.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 131.33 34.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.58 -9.55 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -135.0 163.42 29.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -63.81 -37.4 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.1 p -61.45 -41.98 98.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.23 165.17 25.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -142.23 140.99 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.418 ' C ' HD11 ' A' ' 25' ' ' ILE . 63.5 p -96.33 136.73 36.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -131.68 153.56 81.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.05 19.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.748 2.299 . . . . 0.0 112.355 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.28 98.51 11.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.53 32.0 0.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 m -130.15 155.11 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 111.186 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -95.23 146.03 24.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -138.9 162.15 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -110.02 121.92 46.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.491 HG23 ' CD1' ' A' ' 11' ' ' TYR . 53.0 t -84.23 105.66 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 mt -75.46 -64.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -119.77 169.22 10.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 51.8 mttp -139.33 137.1 35.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -102.6 153.78 19.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.0 1.09 7.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 t -100.45 -9.99 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.34 -20.42 28.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 80.0 m95 -76.66 117.21 18.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.458 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 23.3 m0 -111.19 139.32 46.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.2 t80 -78.02 107.18 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.72 168.39 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -131.74 121.82 24.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -120.12 94.38 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.91 -109.81 2.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -112.46 33.19 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.8 157.31 43.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 23.9 mp0 -137.97 119.96 15.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' N ' HG21 ' A' ' 25' ' ' ILE . . . -129.87 168.71 21.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 91.5 m95 -97.79 106.66 19.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.48 144.8 30.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.71 144.35 53.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.422 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 88.7 p -66.74 -21.6 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -61.99 -32.35 72.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -81.62 -40.98 22.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.84 147.63 52.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 14' ' ' CYS . 97.4 t -101.61 121.99 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -134.28 132.68 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -110.46 121.42 45.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -128.08 115.48 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -153.75 175.62 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -65.93 115.35 5.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -127.42 143.72 48.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.62 0.724 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' ASP . 53.8 Cg_endo -69.75 121.73 8.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' PRO . 10.7 t70 -32.84 96.22 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PRO . 53.9 Cg_endo -69.79 -165.63 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.242 . . . . 0.0 112.386 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 m -114.77 155.28 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.15 129.08 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -160.99 132.61 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -156.13 161.95 40.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.6 m -116.83 141.19 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.04 70.42 0.46 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.35 32.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -128.21 84.81 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.9 p -67.88 94.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -91.57 -60.11 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 m -43.8 -48.99 8.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.63 165.52 13.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -110.72 119.83 40.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 p -51.94 155.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.54 -164.84 16.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.49 -176.24 4.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.517 HG22 ' CE1' ' A' ' 11' ' ' TYR . 87.9 m -152.44 119.91 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 m -86.14 142.53 28.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CE1' HG21 ' A' ' 35' ' ' VAL . 9.4 m-85 -123.2 165.25 17.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.1 tpt -110.1 123.62 50.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -81.45 130.36 35.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.95 -15.9 11.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.49 139.58 50.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.91 115.54 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 3.6 t80 -96.63 149.51 21.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.549 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 21.4 tp60 -107.07 139.97 40.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -80.22 125.24 29.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -79.39 -54.25 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -118.58 166.88 12.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -52.02 -29.77 22.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.3 m -68.53 -26.78 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 43.1 mp0 -90.07 163.53 14.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -139.5 139.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' HD11 ' A' ' 25' ' ' ILE . 90.6 p -92.8 135.76 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -131.85 144.19 52.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.692 0.758 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 172.65 12.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 107.05 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.57 21.14 1.3 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.54 151.84 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -96.85 141.89 29.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.64 -178.78 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -127.73 118.15 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.531 HG21 ' CE1' ' A' ' 11' ' ' TYR . 74.2 t -83.14 102.65 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD13 ' CD2' ' A' ' 45' ' ' TYR . 59.5 mt -67.53 -61.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -135.44 166.51 23.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 74.2 mttt -127.49 145.04 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -111.54 131.32 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -42.38 -38.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -52.05 -58.99 4.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.98 -13.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -87.34 123.24 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.511 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 28.5 m0 -108.68 141.91 39.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.535 ' CD2' HD13 ' A' ' 36' ' ' LEU . 2.9 t80 -82.71 108.2 15.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -106.57 169.05 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -134.3 121.42 21.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -114.79 96.49 5.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.37 -103.08 1.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -117.75 30.19 7.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 mt -144.05 142.76 30.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -124.15 122.19 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -136.64 162.65 25.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.557 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -90.25 116.49 28.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.52 147.13 44.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.694 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.49 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.9 Cg_endo -69.7 136.68 33.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.399 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.511 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 83.2 p -61.02 -30.69 70.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -54.66 -36.92 65.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 9.5 m-85 -81.0 -20.65 41.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.4 mt -92.93 136.41 33.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.27 132.26 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -83.62 170.21 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -101.73 80.17 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -128.79 37.58 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -111.3 22.92 14.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -132.26 152.68 51.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -122.33 84.74 47.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.17 68.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.224 . . . . 0.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -78.05 151.51 78.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -177.04 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -168.44 176.76 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.19 49.49 0.92 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.31 110.09 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.731 0.301 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -106.63 -41.02 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.4 t -70.7 123.07 21.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.31 166.98 30.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.9 Cg_endo -69.75 132.7 23.91 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 77' ' ' PRO . 4.5 t -34.58 130.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.6 p -72.85 117.03 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 69' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -49.75 -44.57 48.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -94.34 55.18 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.05 112.67 4.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -143.56 137.41 28.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.838 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 p -100.56 141.62 33.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.66 -156.5 34.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.07 -175.11 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.445 HG22 ' CE1' ' A' ' 11' ' ' TYR . 58.2 m -136.87 129.82 30.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -96.25 131.5 42.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.539 ' CE1' HG22 ' A' ' 35' ' ' VAL . 11.0 m-85 -114.72 172.41 7.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.431 ' CE ' ' HA2' ' A' ' 30' ' ' GLY . 5.7 tpt -112.85 127.13 56.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 p -76.49 124.67 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 p -100.25 -11.67 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 m -148.18 140.11 23.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.93 116.31 6.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.43 ' CG ' ' N ' ' A' ' 18' ' ' GLN . 23.5 t80 -89.14 156.95 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 17' ' ' TYR . 54.8 tp60 -118.21 127.92 54.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 140.57 34.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -100.08 -53.96 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -100.09 155.47 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.75 -31.12 10.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 m -64.11 -41.27 97.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.42 167.94 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -143.5 140.56 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.138 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.424 ' C ' HD11 ' A' ' 25' ' ' ILE . 87.5 p -94.33 135.53 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 17.9 p90 -130.7 146.28 61.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 173.65 10.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.64 101.02 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.08 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 135.11 30.24 0.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 m -131.14 156.29 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -100.9 142.85 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.74 170.98 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -120.67 116.57 25.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.539 HG22 ' CE1' ' A' ' 11' ' ' TYR . 65.3 t -75.57 101.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.47 -50.99 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -141.6 167.6 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 21.6 mttm -135.13 130.28 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.2 136.14 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.82 -33.81 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -56.13 -72.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.13 -27.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 83.1 m95 -75.35 119.53 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.71 0.291 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.511 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 43.1 m0 -106.25 148.52 27.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.451 ' CD1' ' CE2' ' A' ' 54' ' ' TRP . 2.0 t80 -90.74 108.06 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -105.03 166.88 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.181 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -129.68 126.94 39.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -121.01 98.28 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.24 -96.21 0.79 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -123.93 15.59 9.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.8 mt -124.94 154.73 40.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 15.8 mt-10 -133.58 124.09 26.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.469 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -137.28 162.01 25.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 95.5 m95 -91.58 109.23 20.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.0 145.08 32.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.79 138.67 38.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.9 p -63.51 -10.12 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -70.12 -33.6 72.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.4 m-85 -81.96 -40.67 21.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 mt -68.58 142.03 55.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.3 t -91.51 94.46 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.85 116.76 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.04 14.63 26.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 46.01 52.54 9.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -57.7 124.84 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -145.48 144.11 30.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -127.03 143.59 47.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 94.21 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' O ' ' CA ' ' A' ' 1' ' ' GLY . 15.0 m-20 -154.49 143.65 14.99 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -42.34 3.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.1 m -48.03 151.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.58 67.84 1.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -68.02 119.24 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.309 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -158.41 155.0 27.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -89.84 174.95 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.26 147.29 4.71 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 145.01 56.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.1 m -142.63 149.91 39.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.7 p -161.47 152.13 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -63.02 119.1 8.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 p -49.22 121.97 5.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.57 -130.54 1.26 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -173.75 110.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.364 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 m -105.4 92.49 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.39 43.35 1.73 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.4 175.04 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.46 HG23 ' CE1' ' A' ' 11' ' ' TYR . 54.4 m -150.98 118.69 6.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -83.69 132.74 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.46 ' CE1' HG23 ' A' ' 9' ' ' THR . 3.6 m-85 -113.42 161.0 17.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.402 ' HE2' ' C ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -104.11 115.69 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.7 p -73.64 128.72 36.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 31.3 p -107.64 -16.75 14.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.5 p -129.98 155.52 45.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.93 113.61 22.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.552 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 3.9 t80 -94.74 150.2 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 11.7 pt20 -111.59 144.5 40.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -81.09 129.27 34.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.95 -23.64 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -145.43 169.42 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -53.82 -39.43 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -59.91 -46.53 89.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.14 163.5 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.464 ' C ' ' CD1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -142.02 139.13 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' C ' HD11 ' A' ' 25' ' ' ILE . 84.6 p -92.15 134.72 34.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -127.46 149.7 70.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.676 0.75 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 169.22 19.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.54 103.2 15.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' C ' ' HE2' ' A' ' 12' ' ' MET . . . 132.66 26.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -128.2 157.38 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -97.28 140.15 32.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.0 m -130.33 171.53 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -121.41 117.48 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.8 t -82.94 102.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.11 -58.12 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -130.12 156.01 45.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.555 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 6.8 mtmp? -132.06 127.23 35.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -98.45 132.66 43.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -47.99 -36.65 13.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 m -46.39 -55.02 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.51 -37.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 75.4 m95 -73.97 128.68 36.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 49.2 m0 -113.93 149.71 34.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.418 ' CD1' ' CD1' ' A' ' 54' ' ' TRP . 3.5 t80 -87.32 111.4 21.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -107.11 167.72 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' CG ' ' HG2' ' A' ' 52' ' ' GLU . 34.6 ttt-85 -134.83 120.94 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -113.99 91.98 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.96 -114.04 5.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -94.1 -5.89 46.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.6 mp -106.43 159.68 15.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' HG2' ' CG ' ' A' ' 47' ' ' ARG . 30.2 mt-10 -148.19 123.21 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 25' ' ' ILE . . . -139.09 174.0 22.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.418 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 79.6 m95 -96.93 113.09 24.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.744 0.307 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.65 145.1 34.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 43' ' ' TRP . 53.7 Cg_endo -69.76 145.87 58.43 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.563 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.1 p -72.4 -10.93 60.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -71.58 -29.48 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.45 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.9 m-85 -86.66 -28.11 23.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.5 mt -79.59 141.67 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.436 ' CG2' ' HB3' ' A' ' 14' ' ' CYS . 96.4 t -97.03 123.04 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -129.98 103.18 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 39.69 27.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' LEU . 6.7 tp10 -119.28 94.84 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 72.3 47.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -137.67 176.91 8.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -107.68 144.04 28.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 148.72 65.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.99 143.62 4.6 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 153.48 69.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.392 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -137.07 169.84 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.49 91.75 0.16 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.97 155.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.744 0.307 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -139.66 171.29 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -59.71 169.98 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.48 147.52 8.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.9 3.36 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.5 p -147.59 134.66 20.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m 43.74 46.01 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.5 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.0 p -88.39 132.43 34.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -115.73 165.89 12.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.556 ' O ' HG22 ' A' ' 61' ' ' VAL . 49.1 mmm -112.45 123.47 50.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -74.96 128.23 35.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.4 t -113.94 -9.28 13.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -142.86 130.64 21.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 114.38 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -94.52 143.3 26.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -109.19 122.36 47.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -67.3 135.94 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -99.51 -25.24 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -122.36 150.2 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -49.48 -26.63 3.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 m -72.76 -47.45 46.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.9 162.97 10.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.851 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -136.79 142.62 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.1 p -98.47 133.06 43.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -126.9 150.97 73.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 168.25 22.1 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.37 98.7 11.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.08 31.08 0.23 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 m -131.49 169.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -108.66 147.98 31.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.3 m -140.13 152.75 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -105.4 122.68 46.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.457 HG11 ' CE ' ' A' ' 38' ' ' LYS . 38.4 t -83.02 102.15 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.8 mt -72.45 -61.94 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.42 178.52 4.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.457 ' CE ' HG11 ' A' ' 35' ' ' VAL . 85.4 mttt -151.75 123.58 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -91.91 156.1 17.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -81.17 5.79 15.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -100.78 -22.33 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.78 -10.67 8.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 74.5 m95 -93.02 115.57 28.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -106.98 147.76 29.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 52' ' ' GLU . 5.5 t80 -86.01 106.31 17.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -101.94 162.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 49' ' ' GLY . 65.4 ttt-85 -127.04 122.71 35.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -116.18 93.0 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.492 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . 75.51 -103.01 1.56 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -114.82 25.38 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -139.22 152.64 47.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 4.4 mp0 -135.06 123.45 23.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.851 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -135.33 161.33 24.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 89.1 m95 -90.29 108.49 19.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.69 145.99 34.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.71 137.8 36.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 p -62.54 -8.73 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -73.12 -39.16 65.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.805 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -76.45 -24.03 53.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.898 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.26 143.0 27.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 12' ' ' MET . 30.1 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.461 HG22 ' CE1' ' A' ' 11' ' ' TYR . 89.3 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.78 0.324 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -84.35 134.91 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' CE1' HG22 ' A' ' 9' ' ' THR . 2.8 m-85 -114.23 168.68 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.667 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.4 tpt -116.1 123.91 49.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.51 HG21 ' CD1' ' A' ' 27' ' ' PHE . 20.7 p -71.61 125.48 27.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -94.5 -11.29 29.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -158.71 161.48 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.79 122.12 26.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -105.2 138.5 41.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.56 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 14.2 tm0? -94.39 151.25 19.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -100.71 113.82 27.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 21' ' ' GLN . 8.8 p -77.57 -43.77 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' N ' HG13 ' A' ' 20' ' ' VAL . 30.9 mt-30 -106.37 143.14 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -48.5 -32.78 8.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.1 m -61.81 -34.35 75.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.73 169.2 15.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.85 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -140.58 140.44 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.5 p -95.13 134.02 38.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.786 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.51 ' CD1' HG21 ' A' ' 13' ' ' THR . 8.0 p90 -125.65 148.2 61.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 172.05 13.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.53 103.1 15.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 129.77 30.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.442 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.3 m -132.28 148.87 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -86.7 149.8 24.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -141.04 153.57 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -105.88 134.77 48.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.641 HG11 ' HE3' ' A' ' 38' ' ' LYS . 53.4 t -99.28 111.25 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.8 mt -80.61 -63.19 1.46 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -123.12 169.27 11.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.641 ' HE3' HG11 ' A' ' 35' ' ' VAL . 44.4 mttp -141.16 143.36 34.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -113.86 131.23 56.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -40.49 -41.02 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.1 p -48.44 -48.45 37.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.77 -29.46 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 81.6 m95 -72.89 121.79 20.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.585 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 26.0 m0 -110.75 139.26 46.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 52' ' ' GLU . 4.2 t80 -76.78 106.28 8.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.69 170.34 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -136.11 122.5 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -119.25 94.27 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.59 -106.47 2.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -116.12 24.67 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -137.04 153.67 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 23.3 mp0 -132.52 121.94 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.85 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -136.1 156.08 22.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -81.95 106.31 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.729 0.299 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.18 144.62 29.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.74 143.75 51.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.585 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 60.4 p -69.25 -22.15 63.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -66.14 -40.8 90.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 21.6 m-85 -74.45 -9.41 58.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.7 mt -104.67 143.51 32.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 12' ' ' MET . 29.0 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.788 0.327 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -93.3 137.09 32.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -114.49 173.05 6.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 13' ' ' THR . 3.5 tpt -114.31 144.91 42.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' A' ' 12' ' ' MET . 25.9 p -96.11 122.49 39.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.16 -16.17 18.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -143.19 156.92 44.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.69 118.25 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -100.16 142.21 31.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -101.24 139.73 36.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -76.67 118.07 18.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.53 -47.21 78.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -122.67 168.2 12.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -51.58 -37.93 52.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -59.58 -49.29 78.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.34 164.79 12.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.831 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -140.56 140.16 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.4 p -93.88 135.64 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -128.63 145.52 56.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.2 19.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.304 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.84 102.19 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.7 29.96 0.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 m -133.92 160.36 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -105.91 144.21 32.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.68 163.63 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -111.72 121.12 44.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.53 HG11 ' HE3' ' A' ' 38' ' ' LYS . 87.5 t -81.74 116.26 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' A' ' 45' ' ' TYR . 39.8 mt -85.76 -61.77 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -131.73 155.8 47.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HE3' HG11 ' A' ' 35' ' ' VAL . 64.0 mttt -121.96 141.91 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -117.29 128.13 54.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -37.34 -47.66 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.7 p -41.23 -46.46 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.74 -31.66 2.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.412 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 80.2 m95 -70.64 116.92 11.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 36.0 m0 -104.43 140.42 37.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 4.1 t80 -81.68 110.45 17.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 m -107.28 169.64 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -131.13 121.02 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -118.6 91.98 3.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.04 -122.73 6.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -96.63 26.82 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.2 mt -142.31 159.57 41.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -140.34 125.58 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.831 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.76 166.73 25.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 83.1 m95 -95.53 114.18 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.03 145.91 35.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.1 Cg_endo -69.77 138.63 38.23 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.287 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.579 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 54.2 p -64.16 -16.59 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -64.1 -31.61 72.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 6.4 m-85 -84.18 -36.67 22.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.73 142.74 48.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.834 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.808 0.337 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 t -92.61 132.99 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -115.56 176.75 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.437 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.7 ttm -123.38 130.91 53.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -81.93 129.86 34.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 31.6 p -101.68 -19.22 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -139.69 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.12 125.5 29.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -102.26 137.9 39.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -104.36 121.17 42.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 150.29 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 21' ' ' GLN . 11.5 p -110.32 -40.48 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 20' ' ' VAL . 61.2 mt-30 -112.53 150.78 30.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -46.67 -29.42 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m -65.64 -46.85 77.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 1.4 mp0 -72.27 161.79 30.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.852 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.3 140.72 41.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.9 p -91.97 131.0 37.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -125.81 147.63 59.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.75 15.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.58 109.38 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.02 30.99 1.05 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.26 151.04 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -93.32 144.02 25.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 m -134.37 173.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -123.71 120.91 34.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG11 ' NZ ' ' A' ' 38' ' ' LYS . 77.3 t -82.43 109.98 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 mt -81.27 -52.07 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -133.38 161.74 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 25.0 mttm -132.55 135.72 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -107.65 159.37 16.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' SER . 19.0 mt-10 -66.22 -60.42 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' GLU . 23.2 t -35.37 -41.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.67 22.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -111.26 118.77 36.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 26.0 m0 -110.93 140.79 45.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.569 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 4.2 t80 -86.57 107.32 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -101.56 170.86 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -134.3 123.45 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -115.32 93.26 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.59 -102.8 2.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.93 -3.36 14.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 51' ' ' LEU . 4.0 mp -106.47 166.23 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -145.58 123.38 11.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.852 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.45 159.08 24.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 92.5 m95 -88.1 117.09 26.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.787 0.327 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.61 144.79 34.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.5 Cg_endo -69.79 144.44 53.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.9 p -67.67 -13.4 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -69.36 -28.19 65.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.5 m-85 -89.87 -40.31 12.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.2 137.38 54.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 12' ' ' MET . 95.4 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.414 HG22 ' CE1' ' A' ' 11' ' ' TYR . 40.8 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.8 0.333 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.8 p -83.17 128.85 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.414 ' CE1' HG22 ' A' ' 9' ' ' THR . 4.3 m-85 -109.45 174.61 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.823 ' O ' HG22 ' A' ' 61' ' ' VAL . 48.0 mmm -119.91 124.73 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.3 p -70.72 131.66 44.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 23.9 t -99.16 -12.66 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -153.37 161.96 41.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.68 121.12 25.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 10.2 t80 -99.9 153.81 18.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.496 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 6.1 tt0 -117.97 142.14 47.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -90.94 142.56 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -105.14 -31.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -122.72 158.69 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -52.99 -25.03 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -71.66 -45.76 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.69 160.34 31.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.857 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.67 142.02 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.3 p -96.4 134.82 39.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -128.77 149.65 72.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 171.95 13.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.1 107.7 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.8 28.4 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.91 162.2 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -106.27 139.75 40.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 m -128.05 163.88 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -112.61 126.79 55.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.525 HG11 ' HE3' ' A' ' 38' ' ' LYS . 76.9 t -87.55 96.34 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.19 -48.93 74.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -144.65 165.2 28.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.525 ' HE3' HG11 ' A' ' 35' ' ' VAL . 84.9 mttt -133.25 150.89 51.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' GLU . 38.2 mt-30 -121.19 123.7 42.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' GLN . 3.2 tt0 -36.63 -43.28 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -44.49 -52.54 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.38 -30.06 1.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -75.58 124.47 27.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -109.78 150.64 28.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.544 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 3.2 t80 -92.31 105.96 18.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.07 161.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' CZ ' ' O ' ' A' ' 49' ' ' GLY . 1.2 tmt_? -127.16 122.61 34.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -116.24 101.0 8.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . 71.94 -99.29 0.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -122.1 27.69 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -139.19 155.4 47.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -134.1 119.01 18.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.857 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -130.66 163.5 23.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 95.4 m95 -94.88 107.61 19.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.29 144.56 30.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.548 0.689 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.81 133.73 26.17 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -59.59 -11.61 5.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -67.67 -31.81 72.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 6.6 m-85 -85.93 -25.58 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 mt -81.93 143.56 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 12' ' ' MET . 33.0 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.799 0.333 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -90.73 134.04 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -114.98 174.01 6.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.815 ' O ' HG12 ' A' ' 61' ' ' VAL . 1.2 ttt -117.28 133.81 55.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 p -80.74 120.43 24.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.8 t -93.78 -12.08 29.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -147.92 157.02 43.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.89 111.67 18.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -94.73 136.71 34.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.585 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 3.0 pt20 -95.43 151.17 19.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -102.35 101.37 11.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.44 -23.96 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -115.8 150.98 36.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.69 -39.02 73.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 m -62.46 -41.54 98.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -72.89 160.94 31.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.846 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -134.3 140.26 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.9 p -94.55 135.21 36.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -130.11 148.47 69.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 173.14 11.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 110.58 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.03 32.94 1.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -130.49 147.3 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -85.81 150.28 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.25 158.36 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -102.95 155.88 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG11 ' HE3' ' A' ' 38' ' ' LYS . 96.8 t -117.58 99.04 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.2 mt -66.28 -55.02 18.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -138.86 165.32 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.488 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 43.3 mttp -132.65 137.74 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.03 125.28 50.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.71 -37.99 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 m -46.71 -50.89 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.03 -31.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.527 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 24.8 m95 -79.86 134.1 36.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.505 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 21.5 m0 -117.55 137.24 52.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CD1' ' CE2' ' A' ' 54' ' ' TRP . 4.5 t80 -72.7 105.37 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 m -101.26 173.0 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' CG ' ' HG2' ' A' ' 52' ' ' GLU . 58.3 ttp85 -139.97 121.96 15.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -117.25 98.26 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.05 -108.97 2.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.67 33.06 5.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.1 mt -147.56 145.88 29.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' CG ' ' A' ' 47' ' ' ARG . 49.6 mt-10 -126.06 122.31 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.846 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -132.79 167.01 23.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.572 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 90.4 m95 -98.14 115.78 28.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.54 145.55 39.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.71 138.3 37.64 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.734 2.289 . . . . 0.0 112.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.505 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 20.1 t -58.89 -30.17 67.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -53.38 -40.47 65.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.1 m-85 -73.92 -35.67 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.46 136.16 36.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.815 HG12 ' O ' ' A' ' 12' ' ' MET . 13.7 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.6 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -95.9 141.3 29.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD1' HG23 ' A' ' 35' ' ' VAL . 5.9 m-85 -122.25 174.44 6.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 42.2 mmm -122.82 123.64 41.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.0 p -68.88 125.1 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 43.1 t -94.31 -17.28 22.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -144.9 171.92 13.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.59 132.75 35.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.539 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -120.27 140.34 51.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.539 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 8.7 pt20 -102.93 147.53 26.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -79.6 128.65 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -93.16 -24.38 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -138.27 152.33 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -47.58 -25.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -73.22 -41.77 63.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.482 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 14.7 mp0 -72.81 169.51 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.852 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -139.71 138.88 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.2 125.92 36.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 6.4 p90 -124.55 146.37 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 177.65 5.32 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.3 97.2 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.5 34.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.3 167.82 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -106.23 144.93 32.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.3 146.62 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -96.6 126.28 41.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.405 HG23 ' CD1' ' A' ' 11' ' ' TYR . 34.8 t -86.17 101.28 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 45' ' ' TYR . 21.5 mt -67.89 -59.4 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -141.73 167.48 22.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HE2' ' CE3' ' A' ' 44' ' ' TRP . 44.4 mttt -127.96 147.49 50.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -116.7 136.79 52.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -44.44 -47.71 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.2 p -42.1 -44.78 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.12 -23.9 3.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -77.14 128.3 34.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.72 0.295 . . . . 0.0 110.955 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.528 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 38.9 m0 -112.65 144.27 42.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CD2' HD12 ' A' ' 36' ' ' LEU . 3.1 t80 -83.54 108.04 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.01 161.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -123.78 124.78 43.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -115.32 97.97 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.63 -95.03 0.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -124.03 24.3 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.7 mt -134.8 161.99 33.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 18.1 mt-10 -139.45 114.3 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.852 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -129.51 156.56 21.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -82.61 106.27 14.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.64 144.96 31.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.693 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.5 Cg_endo -69.79 136.23 32.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.528 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 80.1 p -63.64 -16.68 61.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -65.98 -33.11 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.2 m-85 -83.96 -31.2 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.3 mt -74.19 158.6 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 14' ' ' CYS . 59.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.794 0.33 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.2 p -96.59 136.7 36.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -119.22 171.33 8.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.643 ' O ' HG22 ' A' ' 61' ' ' VAL . 24.9 mmm -114.59 135.91 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 p -85.1 119.12 25.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.4 t -94.63 -1.27 53.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -157.03 154.62 29.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.19 115.47 20.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CZ ' ' O ' ' A' ' 18' ' ' GLN . 3.5 t80 -93.73 152.85 18.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.538 ' O ' ' CZ ' ' A' ' 17' ' ' TYR . 10.7 tp-100 -114.06 140.68 48.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -82.55 125.92 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -84.85 -22.06 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -147.22 155.49 42.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -45.32 -35.35 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.3 m -59.16 -38.83 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 12.5 mp0 -84.83 164.29 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.798 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -135.84 139.55 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.2 p -98.19 129.04 44.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -123.37 156.5 63.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 168.36 21.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.18 104.77 17.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.13 32.98 0.56 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.437 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.4 m -132.4 157.05 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -94.51 145.66 24.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.46 168.43 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -115.57 130.11 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -92.6 99.29 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 ' CD2' ' A' ' 45' ' ' TYR . 88.1 mt -63.14 -52.11 63.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -147.34 161.04 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -124.41 138.82 54.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -108.25 125.51 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -42.28 -37.3 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.0 m -47.71 -55.8 8.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.45 -32.27 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -78.99 129.53 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 43.0 m0 -113.01 142.5 45.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.661 ' CD2' HD12 ' A' ' 36' ' ' LEU . 4.6 t80 -81.21 110.07 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.73 162.34 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -126.92 121.07 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -119.44 91.92 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.83 -130.43 14.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -87.39 30.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -148.05 155.62 41.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.521 ' OE1' HD11 ' A' ' 36' ' ' LEU . 26.1 mt-10 -137.84 126.83 24.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.798 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -136.46 167.77 24.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 92.1 m95 -96.0 109.99 22.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.84 146.39 35.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.527 0.679 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.76 141.51 45.45 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.417 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 77.0 p -66.41 -7.39 19.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -72.9 -33.72 66.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.7 m-85 -79.42 -25.26 42.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.1 mt -87.98 151.39 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 12' ' ' MET . 5.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.796 0.331 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -84.72 137.99 32.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -120.06 177.46 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.649 ' O ' HG23 ' A' ' 61' ' ' VAL . 14.2 mtp -119.1 137.41 53.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.414 HG21 ' CD1' ' A' ' 27' ' ' PHE . 69.8 p -85.55 129.28 34.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.9 t -93.79 -12.13 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -157.55 169.44 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.86 128.91 34.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -102.57 140.91 36.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -105.56 128.75 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 140.71 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.83 -38.31 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -109.68 157.72 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -54.87 -27.85 45.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -67.58 -51.54 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.78 162.28 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.799 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -138.12 139.5 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.1 p -93.66 134.5 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.414 ' CD1' HG21 ' A' ' 13' ' ' THR . 6.7 p90 -130.02 150.05 74.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.48 14.39 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.229 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.56 107.5 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.25 23.26 1.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.63 141.8 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -76.37 168.78 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.5 m -150.65 154.36 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -101.59 117.74 35.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.454 HG11 ' CE ' ' A' ' 38' ' ' LYS . 98.7 t -84.28 105.73 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.2 mt -77.98 -61.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -127.86 159.15 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' CE ' HG11 ' A' ' 35' ' ' VAL . 91.6 mttt -129.32 144.37 51.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -116.77 139.7 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -52.1 -42.93 63.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.5 p -45.41 -43.09 10.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.34 -18.37 3.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.489 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 81.0 m95 -82.45 122.57 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 44.1 m0 -111.26 142.46 43.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -85.49 107.05 17.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.75 164.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -127.71 121.19 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -112.84 94.84 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.35 -99.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -118.47 31.29 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 mt -143.33 156.44 44.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -138.22 116.47 11.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.799 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -130.65 165.01 22.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -92.73 114.06 26.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.1 149.28 46.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.582 0.706 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.7 132.97 24.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.518 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 16.2 t -58.41 -16.8 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -66.28 -34.19 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 5.4 m-85 -82.42 -26.54 32.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 57' ' ' SER . 49.5 mt -75.5 148.2 39.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 12' ' ' MET . 59.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.605 HG22 ' CE1' ' A' ' 11' ' ' TYR . 45.3 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.803 0.335 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 p -87.21 128.56 35.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CE1' HG22 ' A' ' 9' ' ' THR . 15.1 m-85 -112.3 172.56 6.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.2 mmm -117.18 128.07 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.782 HG21 ' CD2' ' A' ' 27' ' ' PHE . 25.9 p -73.29 125.98 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.6 t -95.21 -10.77 29.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m -153.24 160.62 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.09 122.17 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 56' ' ' PRO . 1.1 t80 -98.8 125.42 44.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -90.67 118.0 29.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -68.88 149.08 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.504 HG12 ' OE1' ' A' ' 24' ' ' GLU . 14.6 p -118.23 -22.63 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HG2' HG13 ' A' ' 20' ' ' VAL . 48.0 mm-40 -121.8 151.13 40.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -53.26 -31.8 45.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 m -66.3 -51.44 57.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.504 ' OE1' HG12 ' A' ' 20' ' ' VAL . 44.7 mt-10 -64.48 159.87 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.851 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -132.33 139.75 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -92.61 135.02 34.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.782 ' CD2' HG21 ' A' ' 13' ' ' THR . 13.1 p90 -130.64 147.6 66.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.687 0.756 . . . . 0.0 110.842 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 170.83 15.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.48 101.79 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.45 33.71 0.39 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -131.68 155.55 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -97.96 144.34 27.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 m -131.96 176.14 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -127.94 115.96 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.55 92.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.58 -47.42 85.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -148.84 155.07 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 14.1 mtmt -120.9 135.69 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -101.11 146.31 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.3 -35.55 75.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 m -51.78 -65.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.56 -32.78 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -78.25 131.61 37.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.725 0.298 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 43.3 m0 -113.46 150.64 32.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 3.7 t80 -88.43 106.71 18.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -99.91 172.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -139.32 120.92 15.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -116.66 95.28 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.53 -104.58 2.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -112.19 -4.62 14.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 51' ' ' LEU . 4.6 mp -104.23 159.03 16.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -138.91 123.94 18.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.851 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.24 170.92 23.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 90.5 m95 -99.54 107.43 19.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.52 146.06 32.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.77 128.36 15.91 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.387 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 p -54.48 -25.22 24.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -57.54 -34.46 69.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.7 m-85 -80.0 -36.35 36.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -70.95 152.19 43.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.818 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.781 0.324 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -94.81 136.56 34.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -118.91 167.13 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.783 ' O ' HG12 ' A' ' 61' ' ' VAL . 93.4 mmm -112.22 129.95 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.448 HG21 ' CD2' ' A' ' 27' ' ' PHE . 19.0 p -80.06 111.18 16.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.8 t -86.33 -10.38 54.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -151.91 147.52 26.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' N ' ' HB2' ' A' ' 29' ' ' ALA . . . -72.89 130.84 41.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -102.93 143.94 31.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -107.13 120.58 42.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.33 131.04 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.59 -27.58 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -109.84 168.17 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -73.63 -32.47 64.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.8 m -65.55 -40.2 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -74.89 169.21 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.841 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -141.44 140.15 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 p -93.56 133.25 37.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.448 ' CD2' HG21 ' A' ' 13' ' ' THR . 7.7 p90 -125.5 153.36 72.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 170.25 16.97 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' HB2' ' N ' ' A' ' 16' ' ' ALA . . . -94.92 101.36 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.98 31.5 0.63 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.24 167.09 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -104.8 141.3 36.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.25 146.44 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -94.33 125.87 39.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -87.53 104.18 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.809 HD12 ' CD2' ' A' ' 45' ' ' TYR . 77.3 mt -67.34 -61.95 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -138.42 168.35 19.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -126.87 145.4 50.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -112.64 127.36 56.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -39.05 -38.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t -52.99 -47.67 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.914 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.86 -16.08 2.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 78.9 m95 -83.75 123.98 30.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.497 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 25.4 m0 -110.68 140.21 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.809 ' CD2' HD12 ' A' ' 36' ' ' LEU . 3.5 t80 -81.98 107.21 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.56 171.68 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -131.99 126.89 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -120.66 92.78 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.31 -100.21 1.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.527 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -119.25 34.23 5.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.9 mt -148.77 159.69 43.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 6.0 mp0 -139.88 124.9 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.841 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.77 162.32 25.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -87.03 109.54 19.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.73 144.07 28.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.585 0.707 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.8 128.56 16.17 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.497 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.3 p -56.76 -13.06 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -66.9 -33.32 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.532 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.0 m-85 -83.74 -38.4 21.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.58 136.91 45.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 12' ' ' MET . 12.6 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.9 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.783 0.325 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.7 p -82.98 137.58 34.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -114.27 173.48 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 13' ' ' THR . 3.9 tpt -113.53 143.26 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 12' ' ' MET . 6.4 p -97.08 123.59 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.17 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 61' ' ' VAL . 2.0 m -91.99 -22.87 19.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -141.49 159.56 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.17 126.44 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.501 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 2.9 t80 -103.96 141.89 35.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.501 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 57.6 tp60 -102.37 146.77 27.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -100.55 122.76 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.546 HG23 ' HG3' ' A' ' 21' ' ' GLN . 34.6 m -91.01 -29.6 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.546 ' HG3' HG23 ' A' ' 20' ' ' VAL . 10.9 mt-30 -115.23 152.09 33.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -53.53 -33.51 54.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 m -63.63 -49.93 71.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.4 ' OE1' HG22 ' A' ' 20' ' ' VAL . 96.3 mt-10 -68.81 162.41 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.85 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -136.7 144.06 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 p -97.11 130.88 44.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -125.07 148.82 61.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.85 15.54 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.11 99.99 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.62 29.9 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG21 ' HE2' ' A' ' 48' ' ' PHE . 17.0 m -129.49 167.4 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -109.35 151.34 26.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.69 166.66 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -113.78 120.65 41.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.74 HG11 ' HE3' ' A' ' 38' ' ' LYS . 77.4 t -82.86 106.43 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.66 -53.0 6.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -122.21 157.23 32.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.74 ' HE3' HG11 ' A' ' 35' ' ' VAL . 44.2 mttp -137.15 125.75 23.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' GLU . 12.0 mt-30 -97.17 118.46 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' GLN . 55.9 mt-10 -34.65 -38.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 m -49.68 -60.81 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.89 -25.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -79.59 129.31 34.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.752 0.31 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -117.24 143.99 45.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 5.3 t80 -82.27 105.83 13.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 m -101.63 169.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -130.0 122.48 28.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' HE2' HG21 ' A' ' 31' ' ' VAL . 43.0 t80 -118.55 107.01 13.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.62 -107.49 2.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -117.23 36.28 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 mt -149.21 167.66 25.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.457 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 49.9 mt-10 -141.1 123.35 15.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.85 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -132.76 154.92 21.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 95.1 m95 -85.77 110.17 19.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.95 144.87 31.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.583 0.706 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.543 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.76 150.15 67.85 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -70.59 -28.11 64.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -54.64 -36.9 65.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 8.1 m-85 -81.34 -43.69 18.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.51 146.63 54.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.41 ' CG2' ' SG ' ' A' ' 14' ' ' CYS . 78.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.78 0.324 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -88.33 141.2 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -121.55 168.64 11.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.652 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.1 tpt -112.47 124.5 52.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 27' ' ' PHE . 27.5 p -73.96 133.56 43.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.7 t -96.56 -19.67 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 t -151.96 165.86 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.87 130.6 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -109.16 145.57 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -109.79 126.97 54.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -69.59 145.46 52.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.39 -21.92 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -133.13 153.17 51.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -49.53 -25.6 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -70.74 -45.3 65.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -71.62 164.61 25.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.836 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.91 138.83 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -91.2 130.51 37.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.471 ' CD1' HG21 ' A' ' 13' ' ' THR . 15.6 p90 -125.73 148.7 63.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.709 0.766 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 169.54 18.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.13 103.64 16.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.41 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 130.49 30.76 0.59 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -131.24 147.32 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -92.39 138.63 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.44 170.58 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -117.85 120.07 36.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG11 ' HE3' ' A' ' 38' ' ' LYS . 22.3 t -81.75 104.96 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' A' ' 45' ' ' TYR . 24.7 mt -70.61 -59.48 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -133.0 157.41 45.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HE3' HG11 ' A' ' 35' ' ' VAL . 65.3 mttt -123.58 142.56 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -114.26 128.86 56.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -45.0 -30.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 m -51.88 -50.34 61.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.62 -17.24 2.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -94.89 132.85 39.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 28.5 m0 -114.07 154.05 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.401 ' CD2' HD12 ' A' ' 36' ' ' LEU . 2.1 t80 -92.08 106.83 18.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.34 165.5 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -129.91 125.52 35.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -119.02 94.79 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.03 -99.53 1.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -122.64 24.65 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.2 mt -136.2 156.04 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -134.04 120.35 20.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.836 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -132.64 156.95 22.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -85.94 103.94 15.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.76 0.314 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.75 147.56 34.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.74 126.72 13.66 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -54.14 -20.93 7.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -66.54 -37.71 85.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 10.8 m-85 -80.01 -12.22 59.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -95.54 137.4 34.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 12' ' ' MET . 27.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.789 0.328 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -94.08 144.45 25.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 1.8 m-85 -123.27 171.94 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.531 ' O ' HG12 ' A' ' 61' ' ' VAL . 5.3 tpt -117.37 123.77 47.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.7 p -75.15 114.34 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.6 p -94.54 -13.19 26.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.497 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 38.4 p -138.78 163.12 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.02 113.75 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -90.3 153.85 20.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -122.72 122.44 38.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 133.14 44.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 21' ' ' GLN . 7.7 p -89.45 -43.24 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 20' ' ' VAL . 14.6 mm100 -117.47 170.16 8.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.97 -33.35 70.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -59.04 -48.47 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -74.5 167.4 21.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.765 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -141.05 139.17 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 p -91.25 133.43 35.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -127.99 145.41 55.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.46 21.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.79 100.5 12.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.67 32.71 0.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.67 149.99 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -92.77 145.59 24.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.91 175.47 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -127.42 116.42 20.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -76.39 101.96 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 45' ' ' TYR . 95.8 mt -69.33 -63.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -126.27 152.28 46.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 60.6 mttt -120.63 130.5 54.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -103.11 129.75 50.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -43.65 -36.74 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.9 m -48.23 -56.02 9.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.25 -26.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -82.48 132.03 35.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.309 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 20.0 m0 -116.73 138.99 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 7.6 t80 -75.24 106.48 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.33 170.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -134.85 121.09 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -119.07 91.96 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.95 -125.86 11.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -90.63 31.08 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.1 mt -148.55 156.0 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -142.13 126.51 17.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.765 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.02 171.78 22.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 94.2 m95 -97.21 115.14 27.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.67 148.74 46.76 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.79 145.06 55.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.539 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 85.0 p -67.38 -21.36 65.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -60.46 -43.26 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.4 m-85 -70.74 -33.46 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.983 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.3 mt -83.36 139.45 33.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 12' ' ' MET . 11.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.752 0.311 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.7 p -97.72 133.82 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -115.05 170.17 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.451 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 18.2 tpp -115.41 129.47 56.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.586 HG21 ' CD1' ' A' ' 27' ' ' PHE . 43.3 p -75.21 122.51 23.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.8 -24.34 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -145.92 174.91 10.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.65 118.91 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -89.69 135.19 33.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -98.5 122.39 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -82.06 154.15 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 21' ' ' GLN . 6.8 p -121.14 -45.83 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.473 ' N ' HG13 ' A' ' 20' ' ' VAL . 41.1 mm-40 -100.37 152.51 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -51.91 -31.05 26.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -65.1 -47.45 77.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -68.3 166.22 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.823 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.47 143.36 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 p -96.58 136.12 37.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 13' ' ' THR . 17.3 p90 -131.76 147.49 66.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.687 0.756 . . . . 0.0 110.832 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 174.48 9.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.03 96.74 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.41 32.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.03 156.2 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -95.99 140.69 30.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.23 154.78 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.449 ' O ' HG12 ' A' ' 46' ' ' VAL . 2.2 mp0 -98.71 159.23 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.461 HG11 ' CG ' ' A' ' 38' ' ' LYS . 75.7 t -120.9 106.64 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.6 mt -76.84 -60.1 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -124.88 150.3 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 22.5 mtmm -135.34 123.06 22.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -94.07 138.7 31.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -47.96 -38.43 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.6 m -48.73 -59.44 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.1 -33.35 0.47 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -69.94 118.14 12.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.739 0.304 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.603 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 50.9 m0 -112.13 143.37 43.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CD1' ' CD1' ' A' ' 54' ' ' TRP . 2.6 t80 -84.92 109.15 17.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 34' ' ' GLN . 1.1 m -105.2 173.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -139.12 121.01 15.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -113.22 94.56 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.17 -99.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -115.22 -1.46 12.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 51' ' ' LEU . 3.8 mp -107.3 152.11 24.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -134.1 122.56 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.823 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -135.52 170.8 22.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.476 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 82.3 m95 -101.0 106.74 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.96 145.0 31.52 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.566 0.698 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.0 Cg_endo -69.75 148.37 64.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.425 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 98.1 p -70.19 -24.07 63.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -55.12 -39.46 69.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.6 m-85 -74.89 -38.68 61.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 mt -69.52 141.1 53.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 61' ' ' VAL . 16.7 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.811 0.339 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -102.94 135.83 43.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -117.28 170.85 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.677 ' O ' HG23 ' A' ' 61' ' ' VAL . 15.9 tpp -116.97 124.67 49.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.631 HG21 ' CD1' ' A' ' 27' ' ' PHE . 19.1 p -71.75 126.09 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.2 t -97.76 -0.94 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -159.68 152.89 22.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.24 113.49 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 1.1 t80 -95.02 144.97 25.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 8.4 tp60 -102.87 146.28 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -87.08 137.08 32.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 21' ' ' GLN . 20.1 m -90.09 -37.28 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 4.7 mt-30 -140.55 156.61 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -39.55 -34.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 m -59.04 -46.32 88.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 21' ' ' GLN . 42.7 mp0 -81.13 161.02 24.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.738 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -134.81 139.7 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -94.57 135.97 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.631 ' CD1' HG21 ' A' ' 13' ' ' THR . 5.8 p90 -129.08 151.54 77.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.75 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 168.21 22.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.9 100.58 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.72 35.08 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG21 ' HE2' ' A' ' 48' ' ' PHE . 3.6 m -131.64 171.68 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.323 . . . . 0.0 111.135 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 33' ' ' VAL . 28.7 tt0 -113.36 150.54 32.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 3.5 m -140.6 168.55 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -113.77 121.52 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.716 HG11 ' HE3' ' A' ' 38' ' ' LYS . 88.5 t -83.37 100.25 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.721 HD12 ' CD2' ' A' ' 45' ' ' TYR . 84.1 mt -68.09 -58.86 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -134.37 160.07 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.716 ' HE3' HG11 ' A' ' 35' ' ' VAL . 73.1 mttt -127.82 137.61 52.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' GLU . 42.8 mt-30 -110.04 122.21 47.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' GLN . 2.8 pp20? -37.67 -38.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -45.48 -58.08 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.4 -31.51 0.53 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.453 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 50.0 m95 -79.79 130.77 35.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 35.9 m0 -115.92 143.05 45.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.721 ' CD2' HD12 ' A' ' 36' ' ' LEU . 5.8 t80 -78.98 109.33 13.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -102.65 166.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -130.89 121.27 24.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.531 ' HE2' HG21 ' A' ' 31' ' ' VAL . 10.6 t80 -112.09 91.92 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.81 -109.15 2.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.04 -8.77 27.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 51' ' ' LEU . 3.0 mp -103.72 166.5 10.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -149.7 125.56 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.738 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.9 172.87 22.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 84.8 m95 -101.46 110.35 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.23 145.98 35.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.3 Cg_endo -69.77 140.88 43.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 60.8 p -63.04 -18.53 63.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -63.4 -37.16 86.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.0 m-85 -78.72 -32.95 47.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.2 mt -74.84 147.83 40.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 12' ' ' MET . 88.9 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.777 0.323 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -93.48 130.28 39.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -108.05 174.65 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.1 mmm -120.35 122.5 40.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -74.98 139.09 42.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 48.3 t -113.43 -11.19 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -146.66 150.4 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.39 112.91 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.16 134.87 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -98.32 132.26 43.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 131.33 34.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 21' ' ' GLN . 5.1 m -100.58 -9.55 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' HG3' HG23 ' A' ' 20' ' ' VAL . 21.1 mt-30 -135.0 163.42 29.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -63.81 -37.4 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.1 p -61.45 -41.98 98.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.23 165.17 25.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.804 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.23 140.99 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.5 p -96.33 136.73 36.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -131.68 153.56 81.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.05 19.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.748 2.299 . . . . 0.0 112.355 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.28 98.51 11.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.53 32.0 0.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 m -130.15 155.11 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 111.186 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -95.23 146.03 24.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -138.9 162.15 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -110.02 121.92 46.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.403 HG11 ' HE3' ' A' ' 38' ' ' LYS . 53.0 t -84.23 105.66 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 mt -75.46 -64.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -119.77 169.22 10.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 51.8 mttp -139.33 137.1 35.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -102.6 153.78 19.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.0 1.09 7.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 t -100.45 -9.99 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.34 -20.42 28.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 80.0 m95 -76.66 117.21 18.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.455 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 23.3 m0 -111.19 139.32 46.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.2 t80 -78.02 107.18 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.72 168.39 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -131.74 121.82 24.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -120.12 94.38 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.91 -109.81 2.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -112.46 33.19 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.8 157.31 43.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.492 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 23.9 mp0 -137.97 119.96 15.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.804 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -129.87 168.71 21.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 91.5 m95 -97.79 106.66 19.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.48 144.8 30.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.71 144.35 53.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.444 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 88.7 p -66.74 -21.6 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -61.99 -32.35 72.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -81.62 -40.98 22.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.84 147.63 52.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 14' ' ' CYS . 97.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.9 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.825 0.345 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 m -86.14 142.53 28.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CD1' ' CG2' ' A' ' 35' ' ' VAL . 9.4 m-85 -123.2 165.25 17.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.1 tpt -110.1 123.62 50.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 31' ' ' VAL . 8.1 p -81.45 130.36 35.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.177 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.95 -15.9 11.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.49 139.58 50.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.91 115.54 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 3.6 t80 -96.63 149.51 21.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.549 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 21.4 tp60 -107.07 139.97 40.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -80.22 125.24 29.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -79.39 -54.25 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -118.58 166.88 12.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -52.02 -29.77 22.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.3 m -68.53 -26.78 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 43.1 mp0 -90.07 163.53 14.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.856 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -139.5 139.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.6 p -92.8 135.76 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -131.85 144.19 52.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.692 0.758 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 172.65 12.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 107.05 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.57 21.14 1.3 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 13' ' ' THR . 30.7 m -120.54 151.84 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -96.85 141.89 29.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.64 -178.78 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -127.73 118.15 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.513 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 74.2 t -83.14 102.65 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' A' ' 45' ' ' TYR . 59.5 mt -67.53 -61.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -135.44 166.51 23.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 74.2 mttt -127.49 145.04 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -111.54 131.32 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -42.38 -38.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -52.05 -58.99 4.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.98 -13.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -87.34 123.24 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.534 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 28.5 m0 -108.68 141.91 39.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD2' HD12 ' A' ' 36' ' ' LEU . 2.9 t80 -82.71 108.2 15.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -106.57 169.05 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -134.3 121.42 21.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -114.79 96.49 5.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.37 -103.08 1.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -117.75 30.19 7.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 mt -144.05 142.76 30.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 10.6 mt-10 -124.15 122.19 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.856 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -136.64 162.65 25.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.557 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -90.25 116.49 28.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.52 147.13 44.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.694 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.514 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.9 Cg_endo -69.7 136.68 33.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.399 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.534 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 83.2 p -61.02 -30.69 70.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -54.66 -36.92 65.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 9.5 m-85 -81.0 -20.65 41.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.4 mt -92.93 136.41 33.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.495 HG22 ' CE1' ' A' ' 11' ' ' TYR . 58.2 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.788 0.327 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -96.25 131.5 42.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.495 ' CE1' HG22 ' A' ' 9' ' ' THR . 11.0 m-85 -114.72 172.41 7.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.426 ' CE ' ' HA2' ' A' ' 30' ' ' GLY . 5.7 tpt -112.85 127.13 56.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.56 HG21 ' CD1' ' A' ' 27' ' ' PHE . 50.9 p -76.49 124.67 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 p -100.25 -11.67 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 m -148.18 140.11 23.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.93 116.31 6.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 23.5 t80 -89.14 156.95 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 17' ' ' TYR . 54.8 tp60 -118.21 127.92 54.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -81.77 140.57 34.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -100.08 -53.96 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -100.09 155.47 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.75 -31.12 10.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 m -64.11 -41.27 97.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.42 167.94 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.837 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -143.5 140.56 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.138 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -94.33 135.53 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.56 ' CD1' HG21 ' A' ' 13' ' ' THR . 17.9 p90 -130.7 146.28 61.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 173.65 10.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.64 101.02 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.08 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.426 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 135.11 30.24 0.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 m -131.14 156.29 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -100.9 142.85 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.74 170.98 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -120.67 116.57 25.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.546 HG11 ' HZ3' ' A' ' 38' ' ' LYS . 65.3 t -75.57 101.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.47 -50.99 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -141.6 167.6 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.546 ' HZ3' HG11 ' A' ' 35' ' ' VAL . 21.6 mttm -135.13 130.28 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.2 136.14 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.82 -33.81 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -56.13 -72.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.13 -27.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 83.1 m95 -75.35 119.53 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.71 0.291 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 43.1 m0 -106.25 148.52 27.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.451 ' CD1' ' CE2' ' A' ' 54' ' ' TRP . 2.0 t80 -90.74 108.06 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -105.03 166.88 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.181 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -129.68 126.94 39.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -121.01 98.28 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.24 -96.21 0.79 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -123.93 15.59 9.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.8 mt -124.94 154.73 40.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 15.8 mt-10 -133.58 124.09 26.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.837 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.28 162.01 25.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 95.5 m95 -91.58 109.23 20.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.0 145.08 32.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.79 138.67 38.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.9 p -63.51 -10.12 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -70.12 -33.6 72.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.4 m-85 -81.96 -40.67 21.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 mt -68.58 142.03 55.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.3 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.41 HG22 ' CE1' ' A' ' 11' ' ' TYR . 54.4 m . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -83.69 132.74 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.41 ' CE1' HG22 ' A' ' 9' ' ' THR . 3.6 m-85 -113.42 161.0 17.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.444 ' HE1' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -104.11 115.69 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.479 HG22 HD23 ' A' ' 60' ' ' LEU . 24.7 p -73.64 128.72 36.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 31.3 p -107.64 -16.75 14.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.5 p -129.98 155.52 45.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.93 113.61 22.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.552 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 3.9 t80 -94.74 150.2 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 11.7 pt20 -111.59 144.5 40.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -81.09 129.27 34.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.438 HG13 ' HG2' ' A' ' 21' ' ' GLN . 11.4 p -86.95 -23.64 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' HG2' HG13 ' A' ' 20' ' ' VAL . 21.6 mm100 -145.43 169.42 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -53.82 -39.43 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -59.91 -46.53 89.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.14 163.5 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.742 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.02 139.13 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.6 p -92.15 134.72 34.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.474 ' CD1' HG21 ' A' ' 13' ' ' THR . 12.7 p90 -127.46 149.7 70.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.676 0.75 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 169.22 19.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.54 103.2 15.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' HE1' ' A' ' 12' ' ' MET . . . 132.66 26.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -128.2 157.38 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -97.28 140.15 32.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.0 m -130.33 171.53 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -121.41 117.48 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.8 t -82.94 102.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.11 -58.12 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -130.12 156.01 45.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 6.8 mtmp? -132.06 127.23 35.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -98.45 132.66 43.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -47.99 -36.65 13.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 m -46.39 -55.02 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.51 -37.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 75.4 m95 -73.97 128.68 36.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.585 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 49.2 m0 -113.93 149.71 34.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.418 ' CD1' ' CD1' ' A' ' 54' ' ' TRP . 3.5 t80 -87.32 111.4 21.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -107.11 167.72 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' CG ' ' HG2' ' A' ' 52' ' ' GLU . 34.6 ttt-85 -134.83 120.94 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -113.99 91.98 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.96 -114.04 5.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -94.1 -5.89 46.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.587 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.6 mp -106.43 159.68 15.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HG2' ' CG ' ' A' ' 47' ' ' ARG . 30.2 mt-10 -148.19 123.21 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.742 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -139.09 174.0 22.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.418 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 79.6 m95 -96.93 113.09 24.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.744 0.307 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.65 145.1 34.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 43' ' ' TRP . 53.7 Cg_endo -69.76 145.87 58.43 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.585 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.1 p -72.4 -10.93 60.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -71.58 -29.48 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.477 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.9 m-85 -86.66 -28.11 23.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.479 HD23 HG22 ' A' ' 13' ' ' THR . 65.5 mt -79.59 141.67 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.43 ' CG2' ' HB3' ' A' ' 14' ' ' CYS . 96.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -158.64 110.6 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -85.46 99.22 11.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.52 57.16 0.64 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -151.46 157.31 42.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 p -89.43 32.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.82 79.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.07 169.81 12.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.371 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.5 m -135.81 129.9 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.0 p -88.39 132.43 34.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -115.73 165.89 12.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.556 ' O ' HG22 ' A' ' 61' ' ' VAL . 49.1 mmm -112.45 123.47 50.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -74.96 128.23 35.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.4 t -113.94 -9.28 13.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -142.86 130.64 21.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 114.38 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -94.52 143.3 26.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -109.19 122.36 47.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -67.3 135.94 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -99.51 -25.24 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -122.36 150.2 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -49.48 -26.63 3.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 m -72.76 -47.45 46.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.9 162.97 10.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.851 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -136.79 142.62 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.1 p -98.47 133.06 43.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -126.9 150.97 73.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 168.25 22.1 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.37 98.7 11.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.08 31.08 0.23 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 m -131.49 169.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -108.66 147.98 31.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.3 m -140.13 152.75 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -105.4 122.68 46.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.457 HG11 ' CE ' ' A' ' 38' ' ' LYS . 38.4 t -83.02 102.15 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.8 mt -72.45 -61.94 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.42 178.52 4.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' CE ' HG11 ' A' ' 35' ' ' VAL . 85.4 mttt -151.75 123.58 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -91.91 156.1 17.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -81.17 5.79 15.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -100.78 -22.33 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.78 -10.67 8.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 74.5 m95 -93.02 115.57 28.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -106.98 147.76 29.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 52' ' ' GLU . 5.5 t80 -86.01 106.31 17.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -101.94 162.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 49' ' ' GLY . 65.4 ttt-85 -127.04 122.71 35.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -116.18 93.0 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.492 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . 75.51 -103.01 1.56 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -114.82 25.38 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -139.22 152.64 47.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 4.4 mp0 -135.06 123.45 23.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.851 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -135.33 161.33 24.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 89.1 m95 -90.29 108.49 19.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.69 145.99 34.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.71 137.8 36.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 p -62.54 -8.73 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -73.12 -39.16 65.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.805 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -76.45 -24.03 53.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.898 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.26 143.0 27.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 12' ' ' MET . 30.1 m -91.07 130.05 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.09 139.4 39.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.38 78.09 9.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -99.52 153.94 18.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -80.33 123.21 27.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.86 107.03 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -128.33 82.48 68.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.542 0.687 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 85.63 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -92.87 144.08 27.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -1.81 9.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.3 m 54.97 37.78 29.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.35 103.87 2.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -118.02 127.24 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.733 0.301 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -39.9 -38.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.4 p -141.15 167.6 21.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.61 -158.47 20.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 83.51 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.309 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.0 p -54.32 -176.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.6 m 55.73 42.53 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -85.63 160.84 19.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -43.39 115.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.0 -79.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 p -87.06 -33.44 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 m -104.56 100.81 10.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.91 -47.72 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.11 -176.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.461 HG22 ' CE1' ' A' ' 11' ' ' TYR . 89.3 m -143.23 113.67 7.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -84.35 134.91 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' CE1' HG22 ' A' ' 9' ' ' THR . 2.8 m-85 -114.23 168.68 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.667 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.4 tpt -116.1 123.91 49.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.51 HG21 ' CD1' ' A' ' 27' ' ' PHE . 20.7 p -71.61 125.48 27.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -94.5 -11.29 29.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -158.71 161.48 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.79 122.12 26.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -105.2 138.5 41.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.56 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 14.2 tm0? -94.39 151.25 19.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -100.71 113.82 27.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 21' ' ' GLN . 8.8 p -77.57 -43.77 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' N ' HG13 ' A' ' 20' ' ' VAL . 30.9 mt-30 -106.37 143.14 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -48.5 -32.78 8.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.1 m -61.81 -34.35 75.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.73 169.2 15.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.85 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -140.58 140.44 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.5 p -95.13 134.02 38.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.786 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.51 ' CD1' HG21 ' A' ' 13' ' ' THR . 8.0 p90 -125.65 148.2 61.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 172.05 13.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.53 103.1 15.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 129.77 30.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.442 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.3 m -132.28 148.87 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -86.7 149.8 24.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -141.04 153.57 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -105.88 134.77 48.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.641 HG11 ' HE3' ' A' ' 38' ' ' LYS . 53.4 t -99.28 111.25 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.8 mt -80.61 -63.19 1.46 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -123.12 169.27 11.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.641 ' HE3' HG11 ' A' ' 35' ' ' VAL . 44.4 mttp -141.16 143.36 34.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -113.86 131.23 56.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -40.49 -41.02 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.1 p -48.44 -48.45 37.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.77 -29.46 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 81.6 m95 -72.89 121.79 20.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.585 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 26.0 m0 -110.75 139.26 46.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 52' ' ' GLU . 4.2 t80 -76.78 106.28 8.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.69 170.34 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -136.11 122.5 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -119.25 94.27 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.59 -106.47 2.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -116.12 24.67 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -137.04 153.67 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 23.3 mp0 -132.52 121.94 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.85 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -136.1 156.08 22.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -81.95 106.31 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.729 0.299 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.18 144.62 29.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.74 143.75 51.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.585 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 60.4 p -69.25 -22.15 63.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -66.14 -40.8 90.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 21.6 m-85 -74.45 -9.41 58.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.7 mt -104.67 143.51 32.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 12' ' ' MET . 29.0 m -99.0 136.44 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -148.81 106.29 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' LEU . 2.7 t70 34.84 32.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' LEU . 11.9 tt0 -118.95 -65.14 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -50.41 -56.84 9.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -157.0 128.51 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -59.44 145.66 81.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 166.86 26.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.254 . . . . 0.0 112.326 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.45 80.65 6.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.591 0.71 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 149.69 67.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.1 m -77.94 -51.53 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.03 94.98 1.62 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -92.83 110.16 21.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -87.32 -53.31 4.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 64.0 m -126.18 134.66 51.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.88 -158.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -32.48 18.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.6 t -58.99 163.57 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.4 t -127.18 101.17 6.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -47.53 131.02 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 p -64.67 163.71 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.21 85.88 0.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -128.07 -59.94 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p 40.14 43.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.33 -117.52 0.46 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 35' ' ' VAL . . . -156.76 177.73 11.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.5 m -111.87 123.65 50.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -93.3 137.09 32.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -114.49 173.05 6.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 13' ' ' THR . 3.5 tpt -114.31 144.91 42.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' A' ' 12' ' ' MET . 25.9 p -96.11 122.49 39.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.16 -16.17 18.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -143.19 156.92 44.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.69 118.25 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -100.16 142.21 31.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -101.24 139.73 36.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -76.67 118.07 18.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.53 -47.21 78.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -122.67 168.2 12.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -51.58 -37.93 52.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -59.58 -49.29 78.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.34 164.79 12.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.831 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -140.56 140.16 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.4 p -93.88 135.64 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -128.63 145.52 56.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.2 19.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.304 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.84 102.19 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.7 29.96 0.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 m -133.92 160.36 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -105.91 144.21 32.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.68 163.63 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -111.72 121.12 44.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.53 HG11 ' HE3' ' A' ' 38' ' ' LYS . 87.5 t -81.74 116.26 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' A' ' 45' ' ' TYR . 39.8 mt -85.76 -61.77 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -131.73 155.8 47.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HE3' HG11 ' A' ' 35' ' ' VAL . 64.0 mttt -121.96 141.91 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -117.29 128.13 54.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -37.34 -47.66 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.7 p -41.23 -46.46 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.74 -31.66 2.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.412 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 80.2 m95 -70.64 116.92 11.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 36.0 m0 -104.43 140.42 37.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 4.1 t80 -81.68 110.45 17.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 m -107.28 169.64 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -131.13 121.02 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -118.6 91.98 3.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.04 -122.73 6.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -96.63 26.82 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.2 mt -142.31 159.57 41.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -140.34 125.58 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.831 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.76 166.73 25.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 83.1 m95 -95.53 114.18 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.03 145.91 35.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.1 Cg_endo -69.77 138.63 38.23 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.287 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.579 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 54.2 p -64.16 -16.59 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -64.1 -31.61 72.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 6.4 m-85 -84.18 -36.67 22.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.73 142.74 48.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.1 t -86.93 121.53 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.11 160.39 15.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.93 37.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 65' ' ' ASN . 2.6 pp20? -96.25 174.48 6.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' GLU . 4.1 t-20 -37.28 120.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.76 159.03 31.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -107.05 149.82 39.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 85.28 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -156.06 160.41 30.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 112.64 3.14 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -85.8 178.99 7.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -141.8 58.11 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 16.6 tptm -146.45 151.57 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 3.3 tp10 -119.38 142.74 47.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.7 p -168.67 157.3 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.43 173.26 26.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 126.35 13.23 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.626 2.218 . . . . 0.0 112.371 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.4 m -74.76 -60.14 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.4 p -48.31 127.8 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -135.96 146.95 47.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -73.9 105.09 5.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.92 58.29 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -115.63 86.39 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 p -75.48 122.23 23.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.16 158.98 14.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.48 171.04 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.7 m -124.38 130.22 52.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 t -92.61 132.99 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -115.56 176.75 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.437 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.7 ttm -123.38 130.91 53.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -81.93 129.86 34.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 31.6 p -101.68 -19.22 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -139.69 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.12 125.5 29.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -102.26 137.9 39.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -104.36 121.17 42.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 150.29 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 21' ' ' GLN . 11.5 p -110.32 -40.48 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 20' ' ' VAL . 61.2 mt-30 -112.53 150.78 30.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -46.67 -29.42 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m -65.64 -46.85 77.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 1.4 mp0 -72.27 161.79 30.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.852 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.3 140.72 41.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.9 p -91.97 131.0 37.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -125.81 147.63 59.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.75 15.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.58 109.38 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.02 30.99 1.05 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.26 151.04 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -93.32 144.02 25.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 m -134.37 173.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -123.71 120.91 34.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG11 ' NZ ' ' A' ' 38' ' ' LYS . 77.3 t -82.43 109.98 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 mt -81.27 -52.07 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -133.38 161.74 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 25.0 mttm -132.55 135.72 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -107.65 159.37 16.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' SER . 19.0 mt-10 -66.22 -60.42 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' GLU . 23.2 t -35.37 -41.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.67 22.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -111.26 118.77 36.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.509 ' HH2' HD13 ' A' ' 62' ' ' LEU . 26.0 m0 -110.93 140.79 45.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.569 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 4.2 t80 -86.57 107.32 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -101.56 170.86 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -134.3 123.45 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -115.32 93.26 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.59 -102.8 2.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.93 -3.36 14.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 51' ' ' LEU . 4.0 mp -106.47 166.23 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -145.58 123.38 11.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.852 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.45 159.08 24.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 92.5 m95 -88.1 117.09 26.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.787 0.327 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.61 144.79 34.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.5 Cg_endo -69.79 144.44 53.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.9 p -67.67 -13.4 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -69.36 -28.19 65.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.5 m-85 -89.87 -40.31 12.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.2 137.38 54.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 12' ' ' MET . 95.4 t -84.76 118.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.509 HD13 ' HH2' ' A' ' 44' ' ' TRP . 1.8 pt? -137.17 142.97 42.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -47.9 -55.26 10.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -69.13 82.86 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -102.3 85.03 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -171.28 115.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -43.15 152.44 0.39 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.719 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.402 ' O ' ' HD3' ' A' ' 70' ' ' PRO . 53.4 Cg_endo -69.82 88.78 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -107.45 80.09 0.86 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 68' ' ' PRO . 53.8 Cg_endo -69.77 119.24 6.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.358 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 t -122.31 -48.47 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.15 79.6 0.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.13 45.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.737 0.303 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.68 100.72 13.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.4 m -81.96 -60.37 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.45 165.78 30.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 89.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.234 . . . . 0.0 112.305 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 62.2 m 40.22 40.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' GLY . 2.7 m -135.69 172.46 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -112.84 104.21 12.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -77.56 118.32 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.01 58.21 0.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 t -60.47 102.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 110.807 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -64.55 156.73 28.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.04 44.48 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.09 160.65 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.414 HG22 ' CE1' ' A' ' 11' ' ' TYR . 40.8 m -122.08 118.59 29.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.8 p -83.17 128.85 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.414 ' CE1' HG22 ' A' ' 9' ' ' THR . 4.3 m-85 -109.45 174.61 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.823 ' O ' HG22 ' A' ' 61' ' ' VAL . 48.0 mmm -119.91 124.73 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.3 p -70.72 131.66 44.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 23.9 t -99.16 -12.66 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -153.37 161.96 41.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.68 121.12 25.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 10.2 t80 -99.9 153.81 18.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.496 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 6.1 tt0 -117.97 142.14 47.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -90.94 142.56 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -105.14 -31.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -122.72 158.69 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -52.99 -25.03 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -71.66 -45.76 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.69 160.34 31.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.857 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.67 142.02 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.3 p -96.4 134.82 39.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -128.77 149.65 72.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 171.95 13.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.1 107.7 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.8 28.4 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.91 162.2 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -106.27 139.75 40.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 m -128.05 163.88 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -112.61 126.79 55.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.525 HG11 ' HE3' ' A' ' 38' ' ' LYS . 76.9 t -87.55 96.34 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.19 -48.93 74.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -144.65 165.2 28.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.525 ' HE3' HG11 ' A' ' 35' ' ' VAL . 84.9 mttt -133.25 150.89 51.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' GLU . 38.2 mt-30 -121.19 123.7 42.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' GLN . 3.2 tt0 -36.63 -43.28 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -44.49 -52.54 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.38 -30.06 1.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -75.58 124.47 27.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -109.78 150.64 28.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.544 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 3.2 t80 -92.31 105.96 18.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.07 161.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' CZ ' ' O ' ' A' ' 49' ' ' GLY . 1.2 tmt_? -127.16 122.61 34.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -116.24 101.0 8.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . 71.94 -99.29 0.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -122.1 27.69 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -139.19 155.4 47.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -134.1 119.01 18.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.857 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -130.66 163.5 23.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 95.4 m95 -94.88 107.61 19.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.29 144.56 30.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.548 0.689 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.81 133.73 26.17 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -59.59 -11.61 5.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -67.67 -31.81 72.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 6.6 m-85 -85.93 -25.58 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 mt -81.93 143.56 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 12' ' ' MET . 33.0 m -97.06 125.92 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 64' ' ' GLU . 4.9 mp -101.45 103.74 14.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER 34.09 33.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.6 tm-20 -73.4 -51.08 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -115.69 143.51 45.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.65 126.45 29.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -38.36 144.02 0.4 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 175.25 8.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -110.64 81.1 2.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.19 19.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.272 . . . . 0.0 112.347 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -169.21 170.35 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.79 59.71 1.06 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.17 135.27 51.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -130.36 142.3 50.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.8 p -96.63 -59.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.05 83.48 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 163.83 36.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -112.14 -178.98 3.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 m -74.99 138.16 42.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -68.72 126.48 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -131.86 -55.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 157.19 -51.02 0.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 21.4 t -36.57 -53.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -46.57 -50.27 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.24 -143.02 14.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.93 175.94 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.07 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 m -127.25 122.61 34.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -90.73 134.04 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CE2' HD12 ' A' ' 62' ' ' LEU . 8.4 m-85 -114.98 174.01 6.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.815 ' O ' HG12 ' A' ' 61' ' ' VAL . 1.2 ttt -117.28 133.81 55.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 p -80.74 120.43 24.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.8 t -93.78 -12.08 29.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -147.92 157.02 43.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.89 111.67 18.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -94.73 136.71 34.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.585 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 3.0 pt20 -95.43 151.17 19.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -102.35 101.37 11.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.44 -23.96 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -115.8 150.98 36.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.69 -39.02 73.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 m -62.46 -41.54 98.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -72.89 160.94 31.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.846 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -134.3 140.26 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.9 p -94.55 135.21 36.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -130.11 148.47 69.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 173.14 11.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 110.58 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.03 32.94 1.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -130.49 147.3 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -85.81 150.28 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.25 158.36 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.95 155.88 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG11 ' HE3' ' A' ' 38' ' ' LYS . 96.8 t -117.58 99.04 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.2 mt -66.28 -55.02 18.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -138.86 165.32 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.488 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 43.3 mttp -132.65 137.74 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.03 125.28 50.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.71 -37.99 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 m -46.71 -50.89 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.03 -31.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.527 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 24.8 m95 -79.86 134.1 36.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.505 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 21.5 m0 -117.55 137.24 52.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CD1' ' CE2' ' A' ' 54' ' ' TRP . 4.5 t80 -72.7 105.37 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 m -101.26 173.0 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' CG ' ' HG2' ' A' ' 52' ' ' GLU . 58.3 ttp85 -139.97 121.96 15.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -117.25 98.26 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.05 -108.97 2.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.67 33.06 5.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.1 mt -147.56 145.88 29.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' CG ' ' A' ' 47' ' ' ARG . 49.6 mt-10 -126.06 122.31 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.846 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -132.79 167.01 23.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.572 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 90.4 m95 -98.14 115.78 28.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.54 145.55 39.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.71 138.3 37.64 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.734 2.289 . . . . 0.0 112.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.505 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 20.1 t -58.89 -30.17 67.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -53.38 -40.47 65.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.1 m-85 -73.92 -35.67 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.46 136.16 36.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.815 HG12 ' O ' ' A' ' 12' ' ' MET . 13.7 p -97.07 119.65 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.861 HD13 ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.31 169.33 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -93.63 97.15 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 9.3 pt-20 -112.14 113.11 25.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m120 46.65 33.91 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -167.69 114.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.432 ' C ' ' HD3' ' A' ' 70' ' ' PRO . 27.9 mp0 -123.26 85.34 51.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.708 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 69' ' ' ASP . 53.5 Cg_endo -69.79 80.43 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 17.2 t70 35.19 52.23 1.46 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 69' ' ' ASP . 54.0 Cg_endo -69.74 134.78 28.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.221 . . . . 0.0 112.357 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.5 p -171.92 135.74 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -142.04 66.67 0.48 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -113.97 107.4 15.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -125.96 152.42 45.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 m -168.51 109.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.35 -96.26 0.37 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.7 Cg_endo -69.77 -46.59 1.16 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 77' ' ' PRO . 3.3 t -36.57 114.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.5 t -87.96 -60.2 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -86.82 174.63 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -130.86 121.62 25.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.71 86.71 1.74 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 23.1 m -120.72 117.24 26.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.6 m 36.79 43.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.5 122.27 25.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.432 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.82 175.16 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.6 m -123.92 126.69 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -95.9 141.3 29.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD1' HG23 ' A' ' 35' ' ' VAL . 5.9 m-85 -122.25 174.44 6.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 42.2 mmm -122.82 123.64 41.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.0 p -68.88 125.1 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 43.1 t -94.31 -17.28 22.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -144.9 171.92 13.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.59 132.75 35.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.539 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -120.27 140.34 51.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.539 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 8.7 pt20 -102.93 147.53 26.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -79.6 128.65 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -93.16 -24.38 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -138.27 152.33 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -47.58 -25.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -73.22 -41.77 63.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 14.7 mp0 -72.81 169.51 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.852 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -139.71 138.88 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.2 125.92 36.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 6.4 p90 -124.55 146.37 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 177.65 5.32 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.3 97.2 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.5 34.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.3 167.82 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -106.23 144.93 32.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.3 146.62 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -96.6 126.28 41.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.405 HG23 ' CD1' ' A' ' 11' ' ' TYR . 34.8 t -86.17 101.28 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 45' ' ' TYR . 21.5 mt -67.89 -59.4 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -141.73 167.48 22.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HE2' ' CE3' ' A' ' 44' ' ' TRP . 44.4 mttt -127.96 147.49 50.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -116.7 136.79 52.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -44.44 -47.71 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.2 p -42.1 -44.78 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.12 -23.9 3.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -77.14 128.3 34.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.72 0.295 . . . . 0.0 110.955 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.581 ' HH2' HD21 ' A' ' 62' ' ' LEU . 38.9 m0 -112.65 144.27 42.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CD2' HD12 ' A' ' 36' ' ' LEU . 3.1 t80 -83.54 108.04 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.01 161.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -123.78 124.78 43.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -115.32 97.97 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.63 -95.03 0.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -124.03 24.3 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.7 mt -134.8 161.99 33.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 18.1 mt-10 -139.45 114.3 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.852 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -129.51 156.56 21.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -82.61 106.27 14.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.64 144.96 31.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.693 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.5 Cg_endo -69.79 136.23 32.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.528 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 80.1 p -63.64 -16.68 61.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -65.98 -33.11 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.2 m-85 -83.96 -31.2 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.3 mt -74.19 158.6 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 14' ' ' CYS . 59.4 t -108.52 122.59 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.581 HD21 ' HH2' ' A' ' 44' ' ' TRP . 4.2 mp -100.84 100.96 11.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 t70 39.15 25.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' LEU . 22.0 tp10 -105.35 54.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -124.92 119.02 27.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLN . 58.2 mm-40 -85.46 95.65 9.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' GLU . 3.0 pt20 -37.14 146.76 0.23 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.575 0.702 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 151.31 69.34 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.403 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 70' ' ' PRO . 12.5 t70 -52.05 139.76 33.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.637 0.732 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 69' ' ' ASP . 54.0 Cg_endo -69.68 135.03 29.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -133.68 160.64 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.6 156.54 42.77 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -93.31 143.06 26.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.731 0.301 . . . . 0.0 110.866 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -65.64 92.66 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 m -77.3 153.22 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.19 153.47 21.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 86.83 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.0 m -56.06 -49.82 72.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -42.54 -61.48 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.502 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 50.16 42.61 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 t -119.07 -52.17 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.92 102.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -74.19 -50.84 17.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -132.55 134.43 44.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.16 -91.35 2.02 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.07 171.56 13.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 m -132.43 138.57 47.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.2 p -96.59 136.7 36.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -119.22 171.33 8.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.643 ' O ' HG22 ' A' ' 61' ' ' VAL . 24.9 mmm -114.59 135.91 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 p -85.1 119.12 25.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.4 t -94.63 -1.27 53.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -157.03 154.62 29.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.19 115.47 20.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CZ ' ' O ' ' A' ' 18' ' ' GLN . 3.5 t80 -93.73 152.85 18.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.538 ' O ' ' CZ ' ' A' ' 17' ' ' TYR . 10.7 tp-100 -114.06 140.68 48.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -82.55 125.92 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -84.85 -22.06 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -147.22 155.49 42.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -45.32 -35.35 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.3 m -59.16 -38.83 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 12.5 mp0 -84.83 164.29 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.798 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -135.84 139.55 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.2 p -98.19 129.04 44.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -123.37 156.5 63.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 168.36 21.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.18 104.77 17.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.13 32.98 0.56 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.437 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.4 m -132.4 157.05 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -94.51 145.66 24.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.46 168.43 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -115.57 130.11 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -92.6 99.29 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 ' CD2' ' A' ' 45' ' ' TYR . 88.1 mt -63.14 -52.11 63.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -147.34 161.04 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -124.41 138.82 54.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -108.25 125.51 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -42.28 -37.3 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.0 m -47.71 -55.8 8.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.45 -32.27 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -78.99 129.53 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 43.0 m0 -113.01 142.5 45.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.661 ' CD2' HD12 ' A' ' 36' ' ' LEU . 4.6 t80 -81.21 110.07 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.73 162.34 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -126.92 121.07 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -119.44 91.92 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.83 -130.43 14.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -87.39 30.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -148.05 155.62 41.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.521 ' OE1' HD11 ' A' ' 36' ' ' LEU . 26.1 mt-10 -137.84 126.83 24.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.798 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -136.46 167.77 24.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 92.1 m95 -96.0 109.99 22.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.84 146.39 35.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.527 0.679 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.76 141.51 45.45 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.417 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 77.0 p -66.41 -7.39 19.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -72.9 -33.72 66.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.7 m-85 -79.42 -25.26 42.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.1 mt -87.98 151.39 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 12' ' ' MET . 5.9 m -103.26 129.79 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 62' ' ' LEU . 5.4 mp -98.57 116.11 30.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.37 84.92 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -121.95 42.24 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -80.99 -49.65 10.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -95.21 142.16 27.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.22 145.73 0.47 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 127.67 14.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.65 2.233 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 70' ' ' PRO . 9.1 t70 -79.43 139.83 55.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 69' ' ' ASP . 53.7 Cg_endo -69.79 95.24 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 m -155.02 150.53 27.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.98 -100.65 0.76 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 pttt 41.69 43.13 2.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -110.66 155.29 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -48.79 158.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 153.46 82.95 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -173.69 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -166.43 155.15 10.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.0 m 52.46 42.11 31.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m -98.23 118.9 35.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.793 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -107.14 -45.37 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.07 -178.92 18.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -82.23 87.45 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -78.55 87.22 4.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.88 58.07 0.64 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.66 174.64 9.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.8 m -136.62 124.16 22.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -84.72 137.99 32.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -120.06 177.46 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.649 ' O ' HG23 ' A' ' 61' ' ' VAL . 14.2 mtp -119.1 137.41 53.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.414 HG21 ' CD1' ' A' ' 27' ' ' PHE . 69.8 p -85.55 129.28 34.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.9 t -93.79 -12.13 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -157.55 169.44 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.86 128.91 34.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -102.57 140.91 36.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -105.56 128.75 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 140.71 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.83 -38.31 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -109.68 157.72 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -54.87 -27.85 45.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -67.58 -51.54 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.78 162.28 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.799 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -138.12 139.5 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.1 p -93.66 134.5 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.414 ' CD1' HG21 ' A' ' 13' ' ' THR . 6.7 p90 -130.02 150.05 74.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.48 14.39 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.229 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.56 107.5 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.25 23.26 1.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.63 141.8 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -76.37 168.78 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.5 m -150.65 154.36 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -101.59 117.74 35.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.454 HG11 ' CE ' ' A' ' 38' ' ' LYS . 98.7 t -84.28 105.73 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.2 mt -77.98 -61.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -127.86 159.15 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' CE ' HG11 ' A' ' 35' ' ' VAL . 91.6 mttt -129.32 144.37 51.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -116.77 139.7 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -52.1 -42.93 63.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.5 p -45.41 -43.09 10.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.34 -18.37 3.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.489 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 81.0 m95 -82.45 122.57 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 44.1 m0 -111.26 142.46 43.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -85.49 107.05 17.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.75 164.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -127.71 121.19 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -112.84 94.84 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.35 -99.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -118.47 31.29 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 mt -143.33 156.44 44.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -138.22 116.47 11.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.799 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -130.65 165.01 22.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -92.73 114.06 26.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.1 149.28 46.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.582 0.706 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.7 132.97 24.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.518 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 16.2 t -58.41 -16.8 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -66.28 -34.19 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 5.4 m-85 -82.42 -26.54 32.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 57' ' ' SER . 49.5 mt -75.5 148.2 39.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 12' ' ' MET . 59.3 t -102.5 123.73 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 64' ' ' GLU . 4.1 mp -101.56 102.43 13.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER 34.18 33.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.586 ' HB3' HG13 ' A' ' 61' ' ' VAL . 9.1 tt0 -86.48 -48.16 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -100.38 127.62 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -166.19 174.7 8.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.433 ' CD ' ' H ' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -66.89 147.29 99.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 110.915 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 96.18 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.12 148.41 12.06 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 91.77 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.3 t -45.35 166.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.93 -36.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -69.45 149.87 47.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -127.63 137.58 52.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.0 p -101.45 -5.17 25.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.13 146.4 3.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 158.49 56.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 t -103.94 164.44 11.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.7 p -103.99 -52.9 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.472 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -91.27 82.69 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -40.5 -54.87 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.96 178.35 17.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.538 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -131.57 149.12 52.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -121.4 42.4 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.11 -178.6 19.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.75 179.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.605 HG22 ' CE1' ' A' ' 11' ' ' TYR . 45.3 m -135.43 121.59 20.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 p -87.21 128.56 35.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CE1' HG22 ' A' ' 9' ' ' THR . 15.1 m-85 -112.3 172.56 6.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.2 mmm -117.18 128.07 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.782 HG21 ' CD2' ' A' ' 27' ' ' PHE . 25.9 p -73.29 125.98 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.6 t -95.21 -10.77 29.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m -153.24 160.62 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.09 122.17 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 56' ' ' PRO . 1.1 t80 -98.8 125.42 44.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -90.67 118.0 29.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -68.88 149.08 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.504 HG12 ' OE1' ' A' ' 24' ' ' GLU . 14.6 p -118.23 -22.63 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HG2' HG13 ' A' ' 20' ' ' VAL . 48.0 mm-40 -121.8 151.13 40.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -53.26 -31.8 45.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 m -66.3 -51.44 57.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.504 ' OE1' HG12 ' A' ' 20' ' ' VAL . 44.7 mt-10 -64.48 159.87 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.851 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -132.33 139.75 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -92.61 135.02 34.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.782 ' CD2' HG21 ' A' ' 13' ' ' THR . 13.1 p90 -130.64 147.6 66.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.687 0.756 . . . . 0.0 110.842 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 170.83 15.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.48 101.79 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.45 33.71 0.39 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -131.68 155.55 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -97.96 144.34 27.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 m -131.96 176.14 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -127.94 115.96 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.55 92.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.58 -47.42 85.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -148.84 155.07 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 14.1 mtmt -120.9 135.69 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -101.11 146.31 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.3 -35.55 75.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 m -51.78 -65.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.56 -32.78 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -78.25 131.61 37.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.725 0.298 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 43.3 m0 -113.46 150.64 32.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 3.7 t80 -88.43 106.71 18.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -99.91 172.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -139.32 120.92 15.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -116.66 95.28 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.53 -104.58 2.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -112.19 -4.62 14.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 51' ' ' LEU . 4.6 mp -104.23 159.03 16.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -138.91 123.94 18.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.851 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.24 170.92 23.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 90.5 m95 -99.54 107.43 19.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.52 146.06 32.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.77 128.36 15.91 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.387 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 p -54.48 -25.22 24.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -57.54 -34.46 69.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.7 m-85 -80.0 -36.35 36.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -70.95 152.19 43.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.9 t -99.41 97.18 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.621 HD23 ' H ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -99.07 161.96 13.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -64.06 80.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' ASN . 9.2 tp10 -106.11 156.05 18.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' GLU . 55.1 m-20 -35.74 -40.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -106.96 79.44 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -115.12 148.32 40.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.72 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -170.69 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -111.94 77.47 2.0 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.81 55.11 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' GLY . 39.4 t -87.73 119.22 27.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' SER . . . -36.13 110.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -68.58 139.78 55.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -40.31 127.27 2.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.0 m -65.65 90.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.06 148.54 18.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -37.85 8.6 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.5 m 45.9 48.9 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.6 m -81.09 135.7 35.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -81.29 -49.05 11.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.899 0.38 . . . . 0.0 110.843 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -60.65 85.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.61 -54.63 2.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -84.07 36.1 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -99.05 106.26 18.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.62 71.46 0.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.27 -175.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.8 m -124.59 126.15 45.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -94.81 136.56 34.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' A' ' 62' ' ' LEU . 10.1 m-85 -118.91 167.13 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.783 ' O ' HG12 ' A' ' 61' ' ' VAL . 93.4 mmm -112.22 129.95 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.448 HG21 ' CD2' ' A' ' 27' ' ' PHE . 19.0 p -80.06 111.18 16.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.8 t -86.33 -10.38 54.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -151.91 147.52 26.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' N ' ' HB2' ' A' ' 29' ' ' ALA . . . -72.89 130.84 41.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -102.93 143.94 31.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -107.13 120.58 42.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.33 131.04 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.59 -27.58 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -109.84 168.17 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -73.63 -32.47 64.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.8 m -65.55 -40.2 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -74.89 169.21 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.841 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -141.44 140.15 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 p -93.56 133.25 37.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.448 ' CD2' HG21 ' A' ' 13' ' ' THR . 7.7 p90 -125.5 153.36 72.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 170.25 16.97 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' HB2' ' N ' ' A' ' 16' ' ' ALA . . . -94.92 101.36 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.98 31.5 0.63 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.24 167.09 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -104.8 141.3 36.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.25 146.44 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -94.33 125.87 39.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -87.53 104.18 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.809 HD12 ' CD2' ' A' ' 45' ' ' TYR . 77.3 mt -67.34 -61.95 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -138.42 168.35 19.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -126.87 145.4 50.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -112.64 127.36 56.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -39.05 -38.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t -52.99 -47.67 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.914 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.86 -16.08 2.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 78.9 m95 -83.75 123.98 30.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.497 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 25.4 m0 -110.68 140.21 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.809 ' CD2' HD12 ' A' ' 36' ' ' LEU . 3.5 t80 -81.98 107.21 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.56 171.68 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -131.99 126.89 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -120.66 92.78 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.31 -100.21 1.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.527 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -119.25 34.23 5.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.9 mt -148.77 159.69 43.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 6.0 mp0 -139.88 124.9 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.841 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.77 162.32 25.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -87.03 109.54 19.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.73 144.07 28.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.585 0.707 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.8 128.56 16.17 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.497 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.3 p -56.76 -13.06 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -66.9 -33.32 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.532 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.0 m-85 -83.74 -38.4 21.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.58 136.91 45.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 12' ' ' MET . 12.6 p -93.78 126.44 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.843 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -95.89 100.82 12.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' LEU . 4.1 t0 35.08 33.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 10.8 tt0 -97.98 163.08 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' GLU . 23.2 m-20 -37.15 102.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.562 ' HG3' HG11 ' A' ' 61' ' ' VAL . 7.1 tm-20 -140.52 133.5 29.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -39.8 144.43 0.51 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 141.85 46.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -115.6 149.21 42.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -23.3 30.9 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.652 2.235 . . . . 0.0 112.374 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.6 p -42.84 -48.28 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.75 170.12 0.58 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.72 156.35 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -126.47 112.92 16.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -115.88 142.42 46.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.83 -158.15 13.28 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 134.41 27.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.283 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 t 73.34 34.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -38.87 135.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -111.66 166.9 10.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -59.79 130.68 47.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.63 117.87 5.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 p -107.34 148.04 29.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 m -77.19 88.01 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.31 47.81 1.0 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.54 -176.71 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.9 m -139.95 115.79 10.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.7 p -82.98 137.58 34.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -114.27 173.48 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 13' ' ' THR . 3.9 tpt -113.53 143.26 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 12' ' ' MET . 6.4 p -97.08 123.59 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.17 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 61' ' ' VAL . 2.0 m -91.99 -22.87 19.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -141.49 159.56 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.17 126.44 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.501 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 2.9 t80 -103.96 141.89 35.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.501 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 57.6 tp60 -102.37 146.77 27.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -100.55 122.76 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.546 HG23 ' HG3' ' A' ' 21' ' ' GLN . 34.6 m -91.01 -29.6 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.546 ' HG3' HG23 ' A' ' 20' ' ' VAL . 10.9 mt-30 -115.23 152.09 33.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -53.53 -33.51 54.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 m -63.63 -49.93 71.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.4 ' OE1' HG22 ' A' ' 20' ' ' VAL . 96.3 mt-10 -68.81 162.41 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.85 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -136.7 144.06 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 p -97.11 130.88 44.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -125.07 148.82 61.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.85 15.54 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.11 99.99 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.62 29.9 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG21 ' HE2' ' A' ' 48' ' ' PHE . 17.0 m -129.49 167.4 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -109.35 151.34 26.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.69 166.66 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -113.78 120.65 41.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.74 HG11 ' HE3' ' A' ' 38' ' ' LYS . 77.4 t -82.86 106.43 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.66 -53.0 6.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -122.21 157.23 32.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.74 ' HE3' HG11 ' A' ' 35' ' ' VAL . 44.2 mttp -137.15 125.75 23.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' GLU . 12.0 mt-30 -97.17 118.46 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' GLN . 55.9 mt-10 -34.65 -38.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 m -49.68 -60.81 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.89 -25.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -79.59 129.31 34.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.752 0.31 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -117.24 143.99 45.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 5.3 t80 -82.27 105.83 13.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 m -101.63 169.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -130.0 122.48 28.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' HE2' HG21 ' A' ' 31' ' ' VAL . 43.0 t80 -118.55 107.01 13.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.62 -107.49 2.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -117.23 36.28 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 mt -149.21 167.66 25.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 49.9 mt-10 -141.1 123.35 15.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.85 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -132.76 154.92 21.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 95.1 m95 -85.77 110.17 19.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.95 144.87 31.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.583 0.706 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.543 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.76 150.15 67.85 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -70.59 -28.11 64.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -54.64 -36.9 65.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 8.1 m-85 -81.34 -43.69 18.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.51 146.63 54.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.41 ' CG2' ' SG ' ' A' ' 14' ' ' CYS . 78.1 t -88.69 116.17 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 62' ' ' LEU . 5.9 mp -86.47 170.64 11.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -83.39 37.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -80.64 130.1 34.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -64.62 103.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -124.23 165.74 17.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -72.84 136.2 80.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.579 0.704 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.85 48.18 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -116.88 80.8 11.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 96.11 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.403 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -103.9 -49.7 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.23 152.84 28.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -87.57 133.01 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -102.29 82.64 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 p -63.29 -58.98 5.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.39 83.43 0.78 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -31.61 20.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t 45.46 51.74 9.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 t -131.06 104.75 7.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -71.51 107.77 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -107.02 166.9 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.71 107.69 3.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -106.23 86.28 2.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.368 . . . . 0.0 110.842 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -91.52 172.07 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.87 -69.86 0.3 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.34 170.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 m -132.79 126.55 32.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -88.33 141.2 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -121.55 168.64 11.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.652 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.1 tpt -112.47 124.5 52.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 27' ' ' PHE . 27.5 p -73.96 133.56 43.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.7 t -96.56 -19.67 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 t -151.96 165.86 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.87 130.6 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -109.16 145.57 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -109.79 126.97 54.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -69.59 145.46 52.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.39 -21.92 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -133.13 153.17 51.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -49.53 -25.6 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -70.74 -45.3 65.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -71.62 164.61 25.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.836 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.91 138.83 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -91.2 130.51 37.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.471 ' CD1' HG21 ' A' ' 13' ' ' THR . 15.6 p90 -125.73 148.7 63.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.709 0.766 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 169.54 18.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.13 103.64 16.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.41 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 130.49 30.76 0.59 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -131.24 147.32 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -92.39 138.63 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.44 170.58 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -117.85 120.07 36.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG11 ' HE3' ' A' ' 38' ' ' LYS . 22.3 t -81.75 104.96 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' A' ' 45' ' ' TYR . 24.7 mt -70.61 -59.48 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -133.0 157.41 45.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HE3' HG11 ' A' ' 35' ' ' VAL . 65.3 mttt -123.58 142.56 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -114.26 128.86 56.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -45.0 -30.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 m -51.88 -50.34 61.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.62 -17.24 2.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -94.89 132.85 39.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 28.5 m0 -114.07 154.05 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.401 ' CD2' HD12 ' A' ' 36' ' ' LEU . 2.1 t80 -92.08 106.83 18.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.34 165.5 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -129.91 125.52 35.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -119.02 94.79 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.03 -99.53 1.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -122.64 24.65 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.2 mt -136.2 156.04 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -134.04 120.35 20.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.836 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -132.64 156.95 22.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -85.94 103.94 15.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.76 0.314 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.75 147.56 34.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.74 126.72 13.66 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -54.14 -20.93 7.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -66.54 -37.71 85.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 10.8 m-85 -80.01 -12.22 59.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -95.54 137.4 34.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 12' ' ' MET . 27.2 t -92.84 129.38 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.735 HD22 ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -83.88 100.97 11.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' LEU . 8.6 t0 34.15 33.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 62' ' ' LEU . 15.6 mt-10 -120.77 -178.56 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' GLU . 21.7 m120 35.51 50.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -119.86 71.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -94.31 155.33 39.95 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 140.38 42.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.63 2.22 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -107.64 80.11 0.91 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.638 0.733 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -16.71 37.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.373 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.1 p -62.63 84.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.76 105.94 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 97.84 10.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -60.35 132.45 53.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.7 p -63.24 143.69 57.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -108.66 146.29 16.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 157.39 60.5 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.6 t -141.2 138.41 33.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.1 p -81.67 156.2 25.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -127.21 174.21 9.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -172.83 154.96 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.22 177.47 14.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -107.48 175.03 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 p -96.26 143.17 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.58 -93.81 0.37 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.74 -175.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.916 0.389 . . . . 0.0 111.068 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.5 m -161.07 131.72 5.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -94.08 144.45 25.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.782 ' HE2' HD12 ' A' ' 62' ' ' LEU . 1.8 m-85 -123.27 171.94 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.531 ' O ' HG12 ' A' ' 61' ' ' VAL . 5.3 tpt -117.37 123.77 47.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.7 p -75.15 114.34 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.6 p -94.54 -13.19 26.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.497 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 38.4 p -138.78 163.12 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.02 113.75 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -90.3 153.85 20.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -122.72 122.44 38.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 133.14 44.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 21' ' ' GLN . 7.7 p -89.45 -43.24 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 20' ' ' VAL . 14.6 mm100 -117.47 170.16 8.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.97 -33.35 70.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -59.04 -48.47 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -74.5 167.4 21.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.765 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -141.05 139.17 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 p -91.25 133.43 35.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -127.99 145.41 55.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.46 21.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.79 100.5 12.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.67 32.71 0.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.67 149.99 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -92.77 145.59 24.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.91 175.47 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -127.42 116.42 20.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -76.39 101.96 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 45' ' ' TYR . 95.8 mt -69.33 -63.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -126.27 152.28 46.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 60.6 mttt -120.63 130.5 54.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -103.11 129.75 50.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -43.65 -36.74 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.9 m -48.23 -56.02 9.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.25 -26.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -82.48 132.03 35.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.309 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 20.0 m0 -116.73 138.99 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 7.6 t80 -75.24 106.48 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.33 170.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -134.85 121.09 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -119.07 91.96 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.95 -125.86 11.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -90.63 31.08 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.1 mt -148.55 156.0 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -142.13 126.51 17.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.765 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.02 171.78 22.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 94.2 m95 -97.21 115.14 27.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.67 148.74 46.76 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.79 145.06 55.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.539 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 85.0 p -67.38 -21.36 65.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -60.46 -43.26 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.4 m-85 -70.74 -33.46 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.983 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.3 mt -83.36 139.45 33.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 12' ' ' MET . 11.6 p -99.63 124.94 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.791 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -87.33 106.76 18.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 64' ' ' GLU . 18.9 t0 -87.19 31.58 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' ASP . 4.2 pm0 -35.81 -35.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 63' ' ' ASP . 70.2 m-80 -39.14 -67.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -147.15 131.86 17.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -152.77 135.76 9.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.549 0.69 . . . . 0.0 110.943 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 134.44 28.02 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -130.17 80.06 71.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -47.75 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.266 . . . . 0.0 112.37 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -173.96 161.49 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.54 65.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -117.07 123.27 46.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -104.52 121.63 43.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -77.77 -47.55 18.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.23 -92.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 116.61 4.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' SER . 58.5 m -122.37 148.76 44.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' SER . 2.0 m -36.82 137.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -43.9 -48.22 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -169.99 158.95 7.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.57 86.5 1.61 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -112.48 -54.63 2.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m -81.53 99.55 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.18 -98.95 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.0 174.05 11.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -132.55 136.05 46.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.7 p -97.72 133.82 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -115.05 170.17 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.451 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 18.2 tpp -115.41 129.47 56.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.586 HG21 ' CD1' ' A' ' 27' ' ' PHE . 43.3 p -75.21 122.51 23.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.8 -24.34 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -145.92 174.91 10.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.65 118.91 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -89.69 135.19 33.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -98.5 122.39 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -82.06 154.15 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 21' ' ' GLN . 6.8 p -121.14 -45.83 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.473 ' N ' HG13 ' A' ' 20' ' ' VAL . 41.1 mm-40 -100.37 152.51 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -51.91 -31.05 26.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -65.1 -47.45 77.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -68.3 166.22 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.823 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.47 143.36 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 p -96.58 136.12 37.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 13' ' ' THR . 17.3 p90 -131.76 147.49 66.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.687 0.756 . . . . 0.0 110.832 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 174.48 9.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.03 96.74 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.41 32.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.03 156.2 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -95.99 140.69 30.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.23 154.78 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' O ' HG12 ' A' ' 46' ' ' VAL . 2.2 mp0 -98.71 159.23 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.461 HG11 ' CG ' ' A' ' 38' ' ' LYS . 75.7 t -120.9 106.64 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.6 mt -76.84 -60.1 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -124.88 150.3 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 22.5 mtmm -135.34 123.06 22.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -94.07 138.7 31.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -47.96 -38.43 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.6 m -48.73 -59.44 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.1 -33.35 0.47 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -69.94 118.14 12.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.739 0.304 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.603 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 50.9 m0 -112.13 143.37 43.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CD1' ' CD1' ' A' ' 54' ' ' TRP . 2.6 t80 -84.92 109.15 17.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 34' ' ' GLN . 1.1 m -105.2 173.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -139.12 121.01 15.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -113.22 94.56 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.17 -99.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -115.22 -1.46 12.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 51' ' ' LEU . 3.8 mp -107.3 152.11 24.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -134.1 122.56 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.823 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -135.52 170.8 22.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.476 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 82.3 m95 -101.0 106.74 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.96 145.0 31.52 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.566 0.698 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.0 Cg_endo -69.75 148.37 64.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.425 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 98.1 p -70.19 -24.07 63.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -55.12 -39.46 69.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.6 m-85 -74.89 -38.68 61.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 mt -69.52 141.1 53.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 61' ' ' VAL . 16.7 m -97.64 127.16 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -144.99 121.21 10.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.33 37.8 3.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.45 113.24 1.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.17 40.83 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -124.64 152.33 43.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.439 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 10.1 tt0 -47.77 138.54 9.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.77 172.19 13.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -117.51 147.41 40.68 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.657 0.742 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 116.09 4.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 0.0 112.373 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.5 t -87.66 151.51 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.62 -112.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -165.06 138.77 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.409 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 5.0 pt-20 -110.15 146.38 35.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.9 m -140.64 148.57 41.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -108.79 -158.45 19.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.529 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 175.96 7.43 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -161.65 148.75 14.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.4 p 43.09 42.36 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.444 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -79.16 120.64 23.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 p -81.22 -53.18 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.26 -142.99 16.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.426 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -64.08 178.52 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -84.88 40.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.67 79.12 1.42 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.54 -175.65 3.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.8 m -117.99 135.18 54.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -102.94 135.83 43.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -117.28 170.85 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.677 ' O ' HG23 ' A' ' 61' ' ' VAL . 15.9 tpp -116.97 124.67 49.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.631 HG21 ' CD1' ' A' ' 27' ' ' PHE . 19.1 p -71.75 126.09 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.2 t -97.76 -0.94 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -159.68 152.89 22.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.24 113.49 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 1.1 t80 -95.02 144.97 25.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 8.4 tp60 -102.87 146.28 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -87.08 137.08 32.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 21' ' ' GLN . 20.1 m -90.09 -37.28 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 4.7 mt-30 -140.55 156.61 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -39.55 -34.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 m -59.04 -46.32 88.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 21' ' ' GLN . 42.7 mp0 -81.13 161.02 24.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.738 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -134.81 139.7 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -94.57 135.97 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.631 ' CD1' HG21 ' A' ' 13' ' ' THR . 5.8 p90 -129.08 151.54 77.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.75 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 168.21 22.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.9 100.58 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.72 35.08 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG21 ' HE2' ' A' ' 48' ' ' PHE . 3.6 m -131.64 171.68 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.323 . . . . 0.0 111.135 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 33' ' ' VAL . 28.7 tt0 -113.36 150.54 32.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 3.5 m -140.6 168.55 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -113.77 121.52 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.716 HG11 ' HE3' ' A' ' 38' ' ' LYS . 88.5 t -83.37 100.25 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.721 HD12 ' CD2' ' A' ' 45' ' ' TYR . 84.1 mt -68.09 -58.86 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -134.37 160.07 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.716 ' HE3' HG11 ' A' ' 35' ' ' VAL . 73.1 mttt -127.82 137.61 52.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' GLU . 42.8 mt-30 -110.04 122.21 47.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' GLN . 2.8 pp20? -37.67 -38.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -45.48 -58.08 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.4 -31.51 0.53 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.453 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 50.0 m95 -79.79 130.77 35.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 35.9 m0 -115.92 143.05 45.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.721 ' CD2' HD12 ' A' ' 36' ' ' LEU . 5.8 t80 -78.98 109.33 13.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -102.65 166.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -130.89 121.27 24.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.531 ' HE2' HG21 ' A' ' 31' ' ' VAL . 10.6 t80 -112.09 91.92 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.81 -109.15 2.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.04 -8.77 27.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 51' ' ' LEU . 3.0 mp -103.72 166.5 10.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -149.7 125.56 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.738 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.9 172.87 22.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 84.8 m95 -101.46 110.35 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.23 145.98 35.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.3 Cg_endo -69.77 140.88 43.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 60.8 p -63.04 -18.53 63.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -63.4 -37.16 86.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.0 m-85 -78.72 -32.95 47.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.2 mt -74.84 147.83 40.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 12' ' ' MET . 88.9 t -93.41 118.05 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mt -91.61 -176.73 4.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.87 95.2 8.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.3 156.54 36.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -46.62 99.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -150.89 134.0 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.5 146.82 6.42 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.615 0.721 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 165.51 30.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.35 149.61 38.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -7.33 20.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.328 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t -61.0 151.71 29.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.16 -85.11 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.535 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm 64.57 45.63 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.304 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.47 135.75 35.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -83.83 -48.71 9.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.32 146.28 15.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 145.47 57.35 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.644 2.229 . . . . 0.0 112.348 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 t -164.18 148.98 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.5 m -150.02 130.63 13.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.549 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 m -75.79 100.2 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 55.64 26.22 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.34 -65.49 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -104.04 157.46 17.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -166.79 142.22 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.41 -116.23 0.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.82 175.83 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -139.86 132.32 28.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -93.48 130.28 39.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -108.05 174.65 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.1 mmm -120.35 122.5 40.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -74.98 139.09 42.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 48.3 t -113.43 -11.19 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -146.66 150.4 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.39 112.91 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.16 134.87 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -98.32 132.26 43.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 131.33 34.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 21' ' ' GLN . 5.1 m -100.58 -9.55 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' HG3' HG23 ' A' ' 20' ' ' VAL . 21.1 mt-30 -135.0 163.42 29.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -63.81 -37.4 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.1 p -61.45 -41.98 98.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.23 165.17 25.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.804 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.23 140.99 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.5 p -96.33 136.73 36.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -131.68 153.56 81.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.05 19.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.748 2.299 . . . . 0.0 112.355 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.28 98.51 11.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.53 32.0 0.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 m -130.15 155.11 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 111.186 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -95.23 146.03 24.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -138.9 162.15 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -110.02 121.92 46.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.403 HG11 ' HE3' ' A' ' 38' ' ' LYS . 53.0 t -84.23 105.66 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 mt -75.46 -64.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -119.77 169.22 10.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 51.8 mttp -139.33 137.1 35.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -102.6 153.78 19.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.0 1.09 7.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 t -100.45 -9.99 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.34 -20.42 28.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 80.0 m95 -76.66 117.21 18.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.455 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 23.3 m0 -111.19 139.32 46.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.2 t80 -78.02 107.18 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.72 168.39 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -131.74 121.82 24.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -120.12 94.38 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.91 -109.81 2.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -112.46 33.19 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.8 157.31 43.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 23.9 mp0 -137.97 119.96 15.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.804 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -129.87 168.71 21.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 91.5 m95 -97.79 106.66 19.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.48 144.8 30.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.71 144.35 53.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.444 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 88.7 p -66.74 -21.6 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -61.99 -32.35 72.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -81.62 -40.98 22.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.84 147.63 52.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 14' ' ' CYS . 97.4 t -101.61 121.99 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -134.28 132.68 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -110.46 121.42 45.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -128.08 115.48 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -153.75 175.62 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -65.93 115.35 5.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -127.42 143.72 48.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.62 0.724 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' ASP . 53.8 Cg_endo -69.75 121.73 8.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' PRO . 10.7 t70 -32.84 96.22 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PRO . 53.9 Cg_endo -69.79 -165.63 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.242 . . . . 0.0 112.386 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 m -114.77 155.28 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.15 129.08 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -160.99 132.61 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -156.13 161.95 40.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.6 m -116.83 141.19 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.04 70.42 0.46 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.35 32.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -128.21 84.81 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.9 p -67.88 94.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -91.57 -60.11 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 m -43.8 -48.99 8.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.63 165.52 13.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -110.72 119.83 40.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 p -51.94 155.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.54 -164.84 16.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.49 -176.24 4.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.9 m -152.44 119.91 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 m -86.14 142.53 28.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CD1' ' CG2' ' A' ' 35' ' ' VAL . 9.4 m-85 -123.2 165.25 17.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.1 tpt -110.1 123.62 50.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 31' ' ' VAL . 8.1 p -81.45 130.36 35.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.177 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.95 -15.9 11.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.49 139.58 50.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.91 115.54 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 3.6 t80 -96.63 149.51 21.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.549 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 21.4 tp60 -107.07 139.97 40.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -80.22 125.24 29.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -79.39 -54.25 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -118.58 166.88 12.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -52.02 -29.77 22.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.3 m -68.53 -26.78 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 43.1 mp0 -90.07 163.53 14.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.856 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -139.5 139.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.6 p -92.8 135.76 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -131.85 144.19 52.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.692 0.758 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 172.65 12.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 107.05 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.57 21.14 1.3 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 13' ' ' THR . 30.7 m -120.54 151.84 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -96.85 141.89 29.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.64 -178.78 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -127.73 118.15 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.513 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 74.2 t -83.14 102.65 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' A' ' 45' ' ' TYR . 59.5 mt -67.53 -61.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -135.44 166.51 23.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 74.2 mttt -127.49 145.04 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -111.54 131.32 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -42.38 -38.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -52.05 -58.99 4.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.98 -13.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -87.34 123.24 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.534 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 28.5 m0 -108.68 141.91 39.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD2' HD12 ' A' ' 36' ' ' LEU . 2.9 t80 -82.71 108.2 15.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -106.57 169.05 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -134.3 121.42 21.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -114.79 96.49 5.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.37 -103.08 1.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -117.75 30.19 7.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 mt -144.05 142.76 30.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 10.6 mt-10 -124.15 122.19 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.856 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -136.64 162.65 25.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.557 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -90.25 116.49 28.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.52 147.13 44.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.694 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.514 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.9 Cg_endo -69.7 136.68 33.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.399 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.534 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 83.2 p -61.02 -30.69 70.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -54.66 -36.92 65.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 9.5 m-85 -81.0 -20.65 41.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.4 mt -92.93 136.41 33.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.27 132.26 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.716 ' N ' HD22 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -83.62 170.21 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -101.73 80.17 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -128.79 37.58 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -111.3 22.92 14.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -132.26 152.68 51.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -122.33 84.74 47.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.17 68.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.224 . . . . 0.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -78.05 151.51 78.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -177.04 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -168.44 176.76 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.19 49.49 0.92 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.31 110.09 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.731 0.301 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -106.63 -41.02 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.4 t -70.7 123.07 21.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.31 166.98 30.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.9 Cg_endo -69.75 132.7 23.91 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 77' ' ' PRO . 4.5 t -34.58 130.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.6 p -72.85 117.03 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 69' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -49.75 -44.57 48.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -94.34 55.18 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.05 112.67 4.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -143.56 137.41 28.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.838 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 p -100.56 141.62 33.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.66 -156.5 34.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 35' ' ' VAL . . . -94.07 -175.11 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.495 HG22 ' CE1' ' A' ' 11' ' ' TYR . 58.2 m -136.87 129.82 30.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -96.25 131.5 42.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.495 ' CE1' HG22 ' A' ' 9' ' ' THR . 11.0 m-85 -114.72 172.41 7.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.426 ' CE ' ' HA2' ' A' ' 30' ' ' GLY . 5.7 tpt -112.85 127.13 56.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.56 HG21 ' CD1' ' A' ' 27' ' ' PHE . 50.9 p -76.49 124.67 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 p -100.25 -11.67 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 m -148.18 140.11 23.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.93 116.31 6.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 23.5 t80 -89.14 156.95 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 17' ' ' TYR . 54.8 tp60 -118.21 127.92 54.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -81.77 140.57 34.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -100.08 -53.96 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -100.09 155.47 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.75 -31.12 10.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 m -64.11 -41.27 97.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.42 167.94 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.837 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -143.5 140.56 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.138 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -94.33 135.53 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.56 ' CD1' HG21 ' A' ' 13' ' ' THR . 17.9 p90 -130.7 146.28 61.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 173.65 10.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.64 101.02 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.08 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.426 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 135.11 30.24 0.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 m -131.14 156.29 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -100.9 142.85 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.74 170.98 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -120.67 116.57 25.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.546 HG11 ' HZ3' ' A' ' 38' ' ' LYS . 65.3 t -75.57 101.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.47 -50.99 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -141.6 167.6 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.546 ' HZ3' HG11 ' A' ' 35' ' ' VAL . 21.6 mttm -135.13 130.28 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.2 136.14 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.82 -33.81 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -56.13 -72.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.13 -27.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 83.1 m95 -75.35 119.53 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.71 0.291 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 43.1 m0 -106.25 148.52 27.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.451 ' CD1' ' CE2' ' A' ' 54' ' ' TRP . 2.0 t80 -90.74 108.06 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -105.03 166.88 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.181 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -129.68 126.94 39.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -121.01 98.28 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.24 -96.21 0.79 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -123.93 15.59 9.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.8 mt -124.94 154.73 40.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 15.8 mt-10 -133.58 124.09 26.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.837 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.28 162.01 25.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 95.5 m95 -91.58 109.23 20.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.0 145.08 32.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.79 138.67 38.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.9 p -63.51 -10.12 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -70.12 -33.6 72.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.4 m-85 -81.96 -40.67 21.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 mt -68.58 142.03 55.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.3 t -91.51 94.46 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.717 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -89.85 116.76 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.04 14.63 26.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 46.01 52.54 9.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -57.7 124.84 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -145.48 144.11 30.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -127.03 143.59 47.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 94.21 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' O ' ' CA ' ' A' ' 1' ' ' GLY . 15.0 m-20 -154.49 143.65 14.99 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -42.34 3.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.1 m -48.03 151.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.58 67.84 1.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -68.02 119.24 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.309 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -158.41 155.0 27.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -89.84 174.95 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.26 147.29 4.71 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 145.01 56.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.1 m -142.63 149.91 39.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.7 p -161.47 152.13 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -63.02 119.1 8.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 p -49.22 121.97 5.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.57 -130.54 1.26 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -173.75 110.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.364 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 m -105.4 92.49 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.39 43.35 1.73 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.4 175.04 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.41 HG22 ' CE1' ' A' ' 11' ' ' TYR . 54.4 m -150.98 118.69 6.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -83.69 132.74 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.41 ' CE1' HG22 ' A' ' 9' ' ' THR . 3.6 m-85 -113.42 161.0 17.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.444 ' HE1' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -104.11 115.69 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.479 HG22 HD23 ' A' ' 60' ' ' LEU . 24.7 p -73.64 128.72 36.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 31.3 p -107.64 -16.75 14.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.5 p -129.98 155.52 45.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.93 113.61 22.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.552 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 3.9 t80 -94.74 150.2 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 11.7 pt20 -111.59 144.5 40.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -81.09 129.27 34.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.438 HG13 ' HG2' ' A' ' 21' ' ' GLN . 11.4 p -86.95 -23.64 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' HG2' HG13 ' A' ' 20' ' ' VAL . 21.6 mm100 -145.43 169.42 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -53.82 -39.43 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -59.91 -46.53 89.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.14 163.5 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.742 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.02 139.13 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.6 p -92.15 134.72 34.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.474 ' CD1' HG21 ' A' ' 13' ' ' THR . 12.7 p90 -127.46 149.7 70.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.676 0.75 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 169.22 19.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.54 103.2 15.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' HE1' ' A' ' 12' ' ' MET . . . 132.66 26.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -128.2 157.38 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -97.28 140.15 32.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.0 m -130.33 171.53 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -121.41 117.48 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.8 t -82.94 102.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.11 -58.12 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -130.12 156.01 45.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 6.8 mtmp? -132.06 127.23 35.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -98.45 132.66 43.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -47.99 -36.65 13.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 m -46.39 -55.02 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.51 -37.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 75.4 m95 -73.97 128.68 36.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.585 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 49.2 m0 -113.93 149.71 34.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.418 ' CD1' ' CD1' ' A' ' 54' ' ' TRP . 3.5 t80 -87.32 111.4 21.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -107.11 167.72 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' CG ' ' HG2' ' A' ' 52' ' ' GLU . 34.6 ttt-85 -134.83 120.94 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -113.99 91.98 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.96 -114.04 5.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -94.1 -5.89 46.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.587 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.6 mp -106.43 159.68 15.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HG2' ' CG ' ' A' ' 47' ' ' ARG . 30.2 mt-10 -148.19 123.21 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.742 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -139.09 174.0 22.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.418 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 79.6 m95 -96.93 113.09 24.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.744 0.307 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.65 145.1 34.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 43' ' ' TRP . 53.7 Cg_endo -69.76 145.87 58.43 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.585 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.1 p -72.4 -10.93 60.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -71.58 -29.48 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.477 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.9 m-85 -86.66 -28.11 23.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.479 HD23 HG22 ' A' ' 13' ' ' THR . 65.5 mt -79.59 141.67 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.43 ' CG2' ' HB3' ' A' ' 14' ' ' CYS . 96.4 t -97.03 123.04 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -129.98 103.18 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 39.69 27.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' LEU . 6.7 tp10 -119.28 94.84 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.3 47.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -137.67 176.91 8.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -107.68 144.04 28.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 148.72 65.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.99 143.62 4.6 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 153.48 69.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.392 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -137.07 169.84 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.49 91.75 0.16 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.97 155.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.744 0.307 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -139.66 171.29 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -59.71 169.98 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.48 147.52 8.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.9 3.36 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.5 p -147.59 134.66 20.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m 43.74 46.01 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.5 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.0 p -88.39 132.43 34.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -115.73 165.89 12.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.556 ' O ' HG22 ' A' ' 61' ' ' VAL . 49.1 mmm -112.45 123.47 50.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -74.96 128.23 35.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.4 t -113.94 -9.28 13.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -142.86 130.64 21.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 114.38 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -94.52 143.3 26.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -109.19 122.36 47.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -67.3 135.94 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -99.51 -25.24 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -122.36 150.2 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -49.48 -26.63 3.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 m -72.76 -47.45 46.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.9 162.97 10.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.851 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -136.79 142.62 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.1 p -98.47 133.06 43.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -126.9 150.97 73.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 168.25 22.1 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.37 98.7 11.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.08 31.08 0.23 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 m -131.49 169.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -108.66 147.98 31.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.3 m -140.13 152.75 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -105.4 122.68 46.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.457 HG11 ' CE ' ' A' ' 38' ' ' LYS . 38.4 t -83.02 102.15 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.8 mt -72.45 -61.94 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.42 178.52 4.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.457 ' CE ' HG11 ' A' ' 35' ' ' VAL . 85.4 mttt -151.75 123.58 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -91.91 156.1 17.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -81.17 5.79 15.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -100.78 -22.33 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.78 -10.67 8.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 74.5 m95 -93.02 115.57 28.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -106.98 147.76 29.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 52' ' ' GLU . 5.5 t80 -86.01 106.31 17.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -101.94 162.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 49' ' ' GLY . 65.4 ttt-85 -127.04 122.71 35.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -116.18 93.0 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.492 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . 75.51 -103.01 1.56 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -114.82 25.38 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -139.22 152.64 47.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 4.4 mp0 -135.06 123.45 23.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.851 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -135.33 161.33 24.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 89.1 m95 -90.29 108.49 19.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.69 145.99 34.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.71 137.8 36.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 p -62.54 -8.73 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -73.12 -39.16 65.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.805 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -76.45 -24.03 53.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.898 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.26 143.0 27.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 12' ' ' MET . 30.1 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.461 HG22 ' CE1' ' A' ' 11' ' ' TYR . 89.3 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.78 0.324 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -84.35 134.91 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' CE1' HG22 ' A' ' 9' ' ' THR . 2.8 m-85 -114.23 168.68 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.667 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.4 tpt -116.1 123.91 49.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.51 HG21 ' CD1' ' A' ' 27' ' ' PHE . 20.7 p -71.61 125.48 27.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -94.5 -11.29 29.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -158.71 161.48 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.79 122.12 26.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -105.2 138.5 41.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.56 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 14.2 tm0? -94.39 151.25 19.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -100.71 113.82 27.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 21' ' ' GLN . 8.8 p -77.57 -43.77 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' N ' HG13 ' A' ' 20' ' ' VAL . 30.9 mt-30 -106.37 143.14 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -48.5 -32.78 8.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.1 m -61.81 -34.35 75.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.73 169.2 15.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.85 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -140.58 140.44 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.5 p -95.13 134.02 38.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.786 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.51 ' CD1' HG21 ' A' ' 13' ' ' THR . 8.0 p90 -125.65 148.2 61.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 172.05 13.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.53 103.1 15.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 129.77 30.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.442 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.3 m -132.28 148.87 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -86.7 149.8 24.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -141.04 153.57 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -105.88 134.77 48.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.641 HG11 ' HE3' ' A' ' 38' ' ' LYS . 53.4 t -99.28 111.25 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.8 mt -80.61 -63.19 1.46 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -123.12 169.27 11.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.641 ' HE3' HG11 ' A' ' 35' ' ' VAL . 44.4 mttp -141.16 143.36 34.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -113.86 131.23 56.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -40.49 -41.02 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.1 p -48.44 -48.45 37.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.77 -29.46 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 81.6 m95 -72.89 121.79 20.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.585 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 26.0 m0 -110.75 139.26 46.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 52' ' ' GLU . 4.2 t80 -76.78 106.28 8.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.69 170.34 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -136.11 122.5 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -119.25 94.27 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.59 -106.47 2.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -116.12 24.67 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -137.04 153.67 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 23.3 mp0 -132.52 121.94 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.85 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -136.1 156.08 22.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -81.95 106.31 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.729 0.299 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.18 144.62 29.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.74 143.75 51.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.585 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 60.4 p -69.25 -22.15 63.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -66.14 -40.8 90.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 21.6 m-85 -74.45 -9.41 58.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.7 mt -104.67 143.51 32.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 12' ' ' MET . 29.0 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.788 0.327 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -93.3 137.09 32.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -114.49 173.05 6.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 13' ' ' THR . 3.5 tpt -114.31 144.91 42.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' A' ' 12' ' ' MET . 25.9 p -96.11 122.49 39.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.16 -16.17 18.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -143.19 156.92 44.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.69 118.25 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -100.16 142.21 31.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -101.24 139.73 36.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -76.67 118.07 18.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.53 -47.21 78.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -122.67 168.2 12.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -51.58 -37.93 52.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -59.58 -49.29 78.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.34 164.79 12.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.831 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -140.56 140.16 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.4 p -93.88 135.64 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -128.63 145.52 56.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.2 19.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.304 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.84 102.19 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.7 29.96 0.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 m -133.92 160.36 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -105.91 144.21 32.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.68 163.63 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -111.72 121.12 44.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.53 HG11 ' HE3' ' A' ' 38' ' ' LYS . 87.5 t -81.74 116.26 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' A' ' 45' ' ' TYR . 39.8 mt -85.76 -61.77 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -131.73 155.8 47.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HE3' HG11 ' A' ' 35' ' ' VAL . 64.0 mttt -121.96 141.91 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -117.29 128.13 54.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -37.34 -47.66 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.7 p -41.23 -46.46 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.74 -31.66 2.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.412 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 80.2 m95 -70.64 116.92 11.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 36.0 m0 -104.43 140.42 37.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 4.1 t80 -81.68 110.45 17.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 m -107.28 169.64 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -131.13 121.02 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -118.6 91.98 3.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.04 -122.73 6.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -96.63 26.82 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.2 mt -142.31 159.57 41.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -140.34 125.58 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.831 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.76 166.73 25.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 83.1 m95 -95.53 114.18 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.03 145.91 35.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.1 Cg_endo -69.77 138.63 38.23 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.287 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.579 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 54.2 p -64.16 -16.59 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -64.1 -31.61 72.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 6.4 m-85 -84.18 -36.67 22.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.73 142.74 48.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.834 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.808 0.337 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 t -92.61 132.99 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -115.56 176.75 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.437 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.7 ttm -123.38 130.91 53.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -81.93 129.86 34.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 31.6 p -101.68 -19.22 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -139.69 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.12 125.5 29.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -102.26 137.9 39.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -104.36 121.17 42.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 150.29 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 21' ' ' GLN . 11.5 p -110.32 -40.48 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 20' ' ' VAL . 61.2 mt-30 -112.53 150.78 30.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -46.67 -29.42 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m -65.64 -46.85 77.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 1.4 mp0 -72.27 161.79 30.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.852 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.3 140.72 41.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.9 p -91.97 131.0 37.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -125.81 147.63 59.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.75 15.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.58 109.38 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.02 30.99 1.05 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.26 151.04 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -93.32 144.02 25.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 m -134.37 173.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -123.71 120.91 34.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG11 ' NZ ' ' A' ' 38' ' ' LYS . 77.3 t -82.43 109.98 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 mt -81.27 -52.07 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -133.38 161.74 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 25.0 mttm -132.55 135.72 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -107.65 159.37 16.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' SER . 19.0 mt-10 -66.22 -60.42 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' GLU . 23.2 t -35.37 -41.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.67 22.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -111.26 118.77 36.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 26.0 m0 -110.93 140.79 45.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.569 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 4.2 t80 -86.57 107.32 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -101.56 170.86 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -134.3 123.45 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -115.32 93.26 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.59 -102.8 2.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.93 -3.36 14.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 51' ' ' LEU . 4.0 mp -106.47 166.23 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -145.58 123.38 11.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.852 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.45 159.08 24.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 92.5 m95 -88.1 117.09 26.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.787 0.327 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.61 144.79 34.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.5 Cg_endo -69.79 144.44 53.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.9 p -67.67 -13.4 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -69.36 -28.19 65.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.5 m-85 -89.87 -40.31 12.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.2 137.38 54.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 12' ' ' MET . 95.4 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.414 HG22 ' CE1' ' A' ' 11' ' ' TYR . 40.8 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.8 0.333 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.8 p -83.17 128.85 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.414 ' CE1' HG22 ' A' ' 9' ' ' THR . 4.3 m-85 -109.45 174.61 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.823 ' O ' HG22 ' A' ' 61' ' ' VAL . 48.0 mmm -119.91 124.73 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.3 p -70.72 131.66 44.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 23.9 t -99.16 -12.66 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -153.37 161.96 41.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.68 121.12 25.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 10.2 t80 -99.9 153.81 18.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.496 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 6.1 tt0 -117.97 142.14 47.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -90.94 142.56 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -105.14 -31.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -122.72 158.69 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -52.99 -25.03 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -71.66 -45.76 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.69 160.34 31.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.857 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.67 142.02 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.3 p -96.4 134.82 39.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -128.77 149.65 72.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 171.95 13.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.1 107.7 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.8 28.4 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.91 162.2 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -106.27 139.75 40.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 m -128.05 163.88 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -112.61 126.79 55.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.525 HG11 ' HE3' ' A' ' 38' ' ' LYS . 76.9 t -87.55 96.34 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.19 -48.93 74.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -144.65 165.2 28.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.525 ' HE3' HG11 ' A' ' 35' ' ' VAL . 84.9 mttt -133.25 150.89 51.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' GLU . 38.2 mt-30 -121.19 123.7 42.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' GLN . 3.2 tt0 -36.63 -43.28 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -44.49 -52.54 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.38 -30.06 1.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -75.58 124.47 27.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -109.78 150.64 28.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.544 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 3.2 t80 -92.31 105.96 18.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.07 161.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' CZ ' ' O ' ' A' ' 49' ' ' GLY . 1.2 tmt_? -127.16 122.61 34.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -116.24 101.0 8.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . 71.94 -99.29 0.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -122.1 27.69 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -139.19 155.4 47.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -134.1 119.01 18.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.857 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -130.66 163.5 23.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 95.4 m95 -94.88 107.61 19.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.29 144.56 30.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.548 0.689 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.81 133.73 26.17 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -59.59 -11.61 5.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -67.67 -31.81 72.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 6.6 m-85 -85.93 -25.58 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 mt -81.93 143.56 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 12' ' ' MET . 33.0 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.799 0.333 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -90.73 134.04 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -114.98 174.01 6.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.815 ' O ' HG12 ' A' ' 61' ' ' VAL . 1.2 ttt -117.28 133.81 55.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 p -80.74 120.43 24.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.8 t -93.78 -12.08 29.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -147.92 157.02 43.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.89 111.67 18.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -94.73 136.71 34.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.585 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 3.0 pt20 -95.43 151.17 19.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -102.35 101.37 11.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.44 -23.96 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -115.8 150.98 36.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.69 -39.02 73.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 m -62.46 -41.54 98.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -72.89 160.94 31.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.846 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -134.3 140.26 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.9 p -94.55 135.21 36.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -130.11 148.47 69.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 173.14 11.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 110.58 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.03 32.94 1.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -130.49 147.3 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -85.81 150.28 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.25 158.36 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.95 155.88 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG11 ' HE3' ' A' ' 38' ' ' LYS . 96.8 t -117.58 99.04 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.2 mt -66.28 -55.02 18.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -138.86 165.32 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.488 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 43.3 mttp -132.65 137.74 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.03 125.28 50.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.71 -37.99 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 m -46.71 -50.89 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.03 -31.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.527 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 24.8 m95 -79.86 134.1 36.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.505 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 21.5 m0 -117.55 137.24 52.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CD1' ' CE2' ' A' ' 54' ' ' TRP . 4.5 t80 -72.7 105.37 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 m -101.26 173.0 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' CG ' ' HG2' ' A' ' 52' ' ' GLU . 58.3 ttp85 -139.97 121.96 15.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -117.25 98.26 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.05 -108.97 2.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.67 33.06 5.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.1 mt -147.56 145.88 29.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' CG ' ' A' ' 47' ' ' ARG . 49.6 mt-10 -126.06 122.31 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.846 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -132.79 167.01 23.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.572 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 90.4 m95 -98.14 115.78 28.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.54 145.55 39.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.71 138.3 37.64 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.734 2.289 . . . . 0.0 112.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.505 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 20.1 t -58.89 -30.17 67.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -53.38 -40.47 65.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.1 m-85 -73.92 -35.67 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.46 136.16 36.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.815 HG12 ' O ' ' A' ' 12' ' ' MET . 13.7 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.6 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -95.9 141.3 29.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD1' HG23 ' A' ' 35' ' ' VAL . 5.9 m-85 -122.25 174.44 6.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 42.2 mmm -122.82 123.64 41.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.0 p -68.88 125.1 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 43.1 t -94.31 -17.28 22.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -144.9 171.92 13.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.59 132.75 35.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.539 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -120.27 140.34 51.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.539 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 8.7 pt20 -102.93 147.53 26.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -79.6 128.65 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -93.16 -24.38 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -138.27 152.33 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -47.58 -25.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -73.22 -41.77 63.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.482 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 14.7 mp0 -72.81 169.51 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.852 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -139.71 138.88 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.2 125.92 36.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 6.4 p90 -124.55 146.37 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 177.65 5.32 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.3 97.2 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.5 34.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.3 167.82 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -106.23 144.93 32.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.3 146.62 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -96.6 126.28 41.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.405 HG23 ' CD1' ' A' ' 11' ' ' TYR . 34.8 t -86.17 101.28 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 45' ' ' TYR . 21.5 mt -67.89 -59.4 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -141.73 167.48 22.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HE2' ' CE3' ' A' ' 44' ' ' TRP . 44.4 mttt -127.96 147.49 50.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -116.7 136.79 52.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -44.44 -47.71 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.2 p -42.1 -44.78 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.12 -23.9 3.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -77.14 128.3 34.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.72 0.295 . . . . 0.0 110.955 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.528 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 38.9 m0 -112.65 144.27 42.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CD2' HD12 ' A' ' 36' ' ' LEU . 3.1 t80 -83.54 108.04 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.01 161.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -123.78 124.78 43.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -115.32 97.97 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.63 -95.03 0.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -124.03 24.3 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.7 mt -134.8 161.99 33.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 18.1 mt-10 -139.45 114.3 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.852 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -129.51 156.56 21.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -82.61 106.27 14.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.64 144.96 31.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.693 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.5 Cg_endo -69.79 136.23 32.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.528 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 80.1 p -63.64 -16.68 61.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -65.98 -33.11 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.2 m-85 -83.96 -31.2 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.3 mt -74.19 158.6 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 14' ' ' CYS . 59.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.794 0.33 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.2 p -96.59 136.7 36.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -119.22 171.33 8.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.643 ' O ' HG22 ' A' ' 61' ' ' VAL . 24.9 mmm -114.59 135.91 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 p -85.1 119.12 25.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.4 t -94.63 -1.27 53.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -157.03 154.62 29.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.19 115.47 20.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CZ ' ' O ' ' A' ' 18' ' ' GLN . 3.5 t80 -93.73 152.85 18.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.538 ' O ' ' CZ ' ' A' ' 17' ' ' TYR . 10.7 tp-100 -114.06 140.68 48.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -82.55 125.92 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -84.85 -22.06 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -147.22 155.49 42.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -45.32 -35.35 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.3 m -59.16 -38.83 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 12.5 mp0 -84.83 164.29 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.798 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -135.84 139.55 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.2 p -98.19 129.04 44.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -123.37 156.5 63.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 168.36 21.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.18 104.77 17.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.13 32.98 0.56 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.437 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.4 m -132.4 157.05 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -94.51 145.66 24.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.46 168.43 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -115.57 130.11 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -92.6 99.29 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 ' CD2' ' A' ' 45' ' ' TYR . 88.1 mt -63.14 -52.11 63.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -147.34 161.04 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -124.41 138.82 54.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -108.25 125.51 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -42.28 -37.3 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.0 m -47.71 -55.8 8.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.45 -32.27 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -78.99 129.53 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 43.0 m0 -113.01 142.5 45.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.661 ' CD2' HD12 ' A' ' 36' ' ' LEU . 4.6 t80 -81.21 110.07 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.73 162.34 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -126.92 121.07 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -119.44 91.92 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.83 -130.43 14.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -87.39 30.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -148.05 155.62 41.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.521 ' OE1' HD11 ' A' ' 36' ' ' LEU . 26.1 mt-10 -137.84 126.83 24.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.798 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -136.46 167.77 24.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 92.1 m95 -96.0 109.99 22.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.84 146.39 35.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.527 0.679 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.76 141.51 45.45 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.417 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 77.0 p -66.41 -7.39 19.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -72.9 -33.72 66.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.7 m-85 -79.42 -25.26 42.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.1 mt -87.98 151.39 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 12' ' ' MET . 5.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.796 0.331 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -84.72 137.99 32.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -120.06 177.46 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.649 ' O ' HG23 ' A' ' 61' ' ' VAL . 14.2 mtp -119.1 137.41 53.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.414 HG21 ' CD1' ' A' ' 27' ' ' PHE . 69.8 p -85.55 129.28 34.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.9 t -93.79 -12.13 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -157.55 169.44 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.86 128.91 34.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -102.57 140.91 36.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -105.56 128.75 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 140.71 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.83 -38.31 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -109.68 157.72 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -54.87 -27.85 45.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -67.58 -51.54 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.78 162.28 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.799 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -138.12 139.5 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.1 p -93.66 134.5 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.414 ' CD1' HG21 ' A' ' 13' ' ' THR . 6.7 p90 -130.02 150.05 74.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.48 14.39 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.229 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.56 107.5 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.25 23.26 1.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.63 141.8 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -76.37 168.78 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.5 m -150.65 154.36 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -101.59 117.74 35.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.454 HG11 ' CE ' ' A' ' 38' ' ' LYS . 98.7 t -84.28 105.73 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.2 mt -77.98 -61.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -127.86 159.15 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' CE ' HG11 ' A' ' 35' ' ' VAL . 91.6 mttt -129.32 144.37 51.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -116.77 139.7 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -52.1 -42.93 63.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.5 p -45.41 -43.09 10.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.34 -18.37 3.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.489 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 81.0 m95 -82.45 122.57 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 44.1 m0 -111.26 142.46 43.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -85.49 107.05 17.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.75 164.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -127.71 121.19 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -112.84 94.84 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.35 -99.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -118.47 31.29 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 mt -143.33 156.44 44.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -138.22 116.47 11.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.799 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -130.65 165.01 22.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -92.73 114.06 26.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.1 149.28 46.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.582 0.706 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.7 132.97 24.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.518 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 16.2 t -58.41 -16.8 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -66.28 -34.19 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 5.4 m-85 -82.42 -26.54 32.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 57' ' ' SER . 49.5 mt -75.5 148.2 39.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 12' ' ' MET . 59.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.605 HG22 ' CE1' ' A' ' 11' ' ' TYR . 45.3 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.803 0.335 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 p -87.21 128.56 35.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CE1' HG22 ' A' ' 9' ' ' THR . 15.1 m-85 -112.3 172.56 6.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.2 mmm -117.18 128.07 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.782 HG21 ' CD2' ' A' ' 27' ' ' PHE . 25.9 p -73.29 125.98 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.6 t -95.21 -10.77 29.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m -153.24 160.62 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.09 122.17 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 56' ' ' PRO . 1.1 t80 -98.8 125.42 44.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -90.67 118.0 29.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -68.88 149.08 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.504 HG12 ' OE1' ' A' ' 24' ' ' GLU . 14.6 p -118.23 -22.63 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HG2' HG13 ' A' ' 20' ' ' VAL . 48.0 mm-40 -121.8 151.13 40.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -53.26 -31.8 45.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 m -66.3 -51.44 57.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.504 ' OE1' HG12 ' A' ' 20' ' ' VAL . 44.7 mt-10 -64.48 159.87 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.851 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -132.33 139.75 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -92.61 135.02 34.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.782 ' CD2' HG21 ' A' ' 13' ' ' THR . 13.1 p90 -130.64 147.6 66.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.687 0.756 . . . . 0.0 110.842 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 170.83 15.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.48 101.79 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.45 33.71 0.39 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -131.68 155.55 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -97.96 144.34 27.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 m -131.96 176.14 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -127.94 115.96 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.55 92.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.58 -47.42 85.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -148.84 155.07 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 14.1 mtmt -120.9 135.69 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -101.11 146.31 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.3 -35.55 75.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 m -51.78 -65.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.56 -32.78 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -78.25 131.61 37.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.725 0.298 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 43.3 m0 -113.46 150.64 32.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 3.7 t80 -88.43 106.71 18.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -99.91 172.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -139.32 120.92 15.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -116.66 95.28 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.53 -104.58 2.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -112.19 -4.62 14.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 51' ' ' LEU . 4.6 mp -104.23 159.03 16.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -138.91 123.94 18.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.851 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.24 170.92 23.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 90.5 m95 -99.54 107.43 19.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.52 146.06 32.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.77 128.36 15.91 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.387 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 p -54.48 -25.22 24.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -57.54 -34.46 69.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.7 m-85 -80.0 -36.35 36.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -70.95 152.19 43.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.818 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.781 0.324 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -94.81 136.56 34.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -118.91 167.13 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.783 ' O ' HG12 ' A' ' 61' ' ' VAL . 93.4 mmm -112.22 129.95 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.448 HG21 ' CD2' ' A' ' 27' ' ' PHE . 19.0 p -80.06 111.18 16.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.8 t -86.33 -10.38 54.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -151.91 147.52 26.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' N ' ' HB2' ' A' ' 29' ' ' ALA . . . -72.89 130.84 41.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -102.93 143.94 31.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -107.13 120.58 42.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.33 131.04 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.59 -27.58 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -109.84 168.17 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -73.63 -32.47 64.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.8 m -65.55 -40.2 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -74.89 169.21 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.841 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -141.44 140.15 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 p -93.56 133.25 37.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.448 ' CD2' HG21 ' A' ' 13' ' ' THR . 7.7 p90 -125.5 153.36 72.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 170.25 16.97 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' HB2' ' N ' ' A' ' 16' ' ' ALA . . . -94.92 101.36 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.98 31.5 0.63 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.24 167.09 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -104.8 141.3 36.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.25 146.44 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -94.33 125.87 39.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -87.53 104.18 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.809 HD12 ' CD2' ' A' ' 45' ' ' TYR . 77.3 mt -67.34 -61.95 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -138.42 168.35 19.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -126.87 145.4 50.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -112.64 127.36 56.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -39.05 -38.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t -52.99 -47.67 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.914 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.86 -16.08 2.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 78.9 m95 -83.75 123.98 30.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.497 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 25.4 m0 -110.68 140.21 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.809 ' CD2' HD12 ' A' ' 36' ' ' LEU . 3.5 t80 -81.98 107.21 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.56 171.68 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -131.99 126.89 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -120.66 92.78 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.31 -100.21 1.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.527 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -119.25 34.23 5.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.9 mt -148.77 159.69 43.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 6.0 mp0 -139.88 124.9 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.841 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.77 162.32 25.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -87.03 109.54 19.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.73 144.07 28.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.585 0.707 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.8 128.56 16.17 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.497 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.3 p -56.76 -13.06 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -66.9 -33.32 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.532 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.0 m-85 -83.74 -38.4 21.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.58 136.91 45.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 12' ' ' MET . 12.6 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.9 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.783 0.325 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.7 p -82.98 137.58 34.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -114.27 173.48 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 13' ' ' THR . 3.9 tpt -113.53 143.26 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 12' ' ' MET . 6.4 p -97.08 123.59 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.17 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 61' ' ' VAL . 2.0 m -91.99 -22.87 19.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -141.49 159.56 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.17 126.44 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.501 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 2.9 t80 -103.96 141.89 35.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.501 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 57.6 tp60 -102.37 146.77 27.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -100.55 122.76 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.546 HG23 ' HG3' ' A' ' 21' ' ' GLN . 34.6 m -91.01 -29.6 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.546 ' HG3' HG23 ' A' ' 20' ' ' VAL . 10.9 mt-30 -115.23 152.09 33.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -53.53 -33.51 54.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 m -63.63 -49.93 71.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.4 ' OE1' HG22 ' A' ' 20' ' ' VAL . 96.3 mt-10 -68.81 162.41 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.85 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -136.7 144.06 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 p -97.11 130.88 44.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -125.07 148.82 61.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.85 15.54 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.11 99.99 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.62 29.9 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG21 ' HE2' ' A' ' 48' ' ' PHE . 17.0 m -129.49 167.4 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -109.35 151.34 26.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.69 166.66 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -113.78 120.65 41.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.74 HG11 ' HE3' ' A' ' 38' ' ' LYS . 77.4 t -82.86 106.43 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.66 -53.0 6.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -122.21 157.23 32.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.74 ' HE3' HG11 ' A' ' 35' ' ' VAL . 44.2 mttp -137.15 125.75 23.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' GLU . 12.0 mt-30 -97.17 118.46 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' GLN . 55.9 mt-10 -34.65 -38.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 m -49.68 -60.81 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.89 -25.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -79.59 129.31 34.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.752 0.31 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -117.24 143.99 45.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 5.3 t80 -82.27 105.83 13.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 m -101.63 169.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -130.0 122.48 28.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' HE2' HG21 ' A' ' 31' ' ' VAL . 43.0 t80 -118.55 107.01 13.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.62 -107.49 2.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -117.23 36.28 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 mt -149.21 167.66 25.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.457 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 49.9 mt-10 -141.1 123.35 15.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.85 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -132.76 154.92 21.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 95.1 m95 -85.77 110.17 19.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.95 144.87 31.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.583 0.706 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.543 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.76 150.15 67.85 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -70.59 -28.11 64.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -54.64 -36.9 65.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 8.1 m-85 -81.34 -43.69 18.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.51 146.63 54.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.41 ' CG2' ' SG ' ' A' ' 14' ' ' CYS . 78.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.78 0.324 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -88.33 141.2 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -121.55 168.64 11.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.652 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.1 tpt -112.47 124.5 52.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 27' ' ' PHE . 27.5 p -73.96 133.56 43.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.7 t -96.56 -19.67 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 t -151.96 165.86 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.87 130.6 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -109.16 145.57 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -109.79 126.97 54.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -69.59 145.46 52.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.39 -21.92 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -133.13 153.17 51.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -49.53 -25.6 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -70.74 -45.3 65.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -71.62 164.61 25.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.836 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.91 138.83 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -91.2 130.51 37.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.471 ' CD1' HG21 ' A' ' 13' ' ' THR . 15.6 p90 -125.73 148.7 63.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.709 0.766 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 169.54 18.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.13 103.64 16.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.41 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 130.49 30.76 0.59 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -131.24 147.32 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -92.39 138.63 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.44 170.58 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -117.85 120.07 36.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG11 ' HE3' ' A' ' 38' ' ' LYS . 22.3 t -81.75 104.96 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' A' ' 45' ' ' TYR . 24.7 mt -70.61 -59.48 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -133.0 157.41 45.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HE3' HG11 ' A' ' 35' ' ' VAL . 65.3 mttt -123.58 142.56 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -114.26 128.86 56.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -45.0 -30.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 m -51.88 -50.34 61.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.62 -17.24 2.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -94.89 132.85 39.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 28.5 m0 -114.07 154.05 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.401 ' CD2' HD12 ' A' ' 36' ' ' LEU . 2.1 t80 -92.08 106.83 18.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.34 165.5 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -129.91 125.52 35.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -119.02 94.79 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.03 -99.53 1.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -122.64 24.65 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.2 mt -136.2 156.04 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -134.04 120.35 20.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.836 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -132.64 156.95 22.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -85.94 103.94 15.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.76 0.314 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.75 147.56 34.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.74 126.72 13.66 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -54.14 -20.93 7.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -66.54 -37.71 85.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 10.8 m-85 -80.01 -12.22 59.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -95.54 137.4 34.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 12' ' ' MET . 27.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.789 0.328 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -94.08 144.45 25.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 1.8 m-85 -123.27 171.94 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.531 ' O ' HG12 ' A' ' 61' ' ' VAL . 5.3 tpt -117.37 123.77 47.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.7 p -75.15 114.34 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.6 p -94.54 -13.19 26.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.497 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 38.4 p -138.78 163.12 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.02 113.75 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -90.3 153.85 20.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -122.72 122.44 38.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 133.14 44.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 21' ' ' GLN . 7.7 p -89.45 -43.24 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 20' ' ' VAL . 14.6 mm100 -117.47 170.16 8.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.97 -33.35 70.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -59.04 -48.47 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -74.5 167.4 21.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.765 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -141.05 139.17 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 p -91.25 133.43 35.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -127.99 145.41 55.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.46 21.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.79 100.5 12.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.67 32.71 0.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.67 149.99 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -92.77 145.59 24.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.91 175.47 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -127.42 116.42 20.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -76.39 101.96 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 45' ' ' TYR . 95.8 mt -69.33 -63.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -126.27 152.28 46.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 60.6 mttt -120.63 130.5 54.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -103.11 129.75 50.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -43.65 -36.74 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.9 m -48.23 -56.02 9.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.25 -26.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -82.48 132.03 35.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.309 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 20.0 m0 -116.73 138.99 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 7.6 t80 -75.24 106.48 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.33 170.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -134.85 121.09 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -119.07 91.96 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.95 -125.86 11.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -90.63 31.08 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.1 mt -148.55 156.0 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -142.13 126.51 17.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.765 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.02 171.78 22.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 94.2 m95 -97.21 115.14 27.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.67 148.74 46.76 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.79 145.06 55.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.539 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 85.0 p -67.38 -21.36 65.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -60.46 -43.26 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.4 m-85 -70.74 -33.46 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.983 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.3 mt -83.36 139.45 33.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 12' ' ' MET . 11.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.752 0.311 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.7 p -97.72 133.82 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -115.05 170.17 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.451 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 18.2 tpp -115.41 129.47 56.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.586 HG21 ' CD1' ' A' ' 27' ' ' PHE . 43.3 p -75.21 122.51 23.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.8 -24.34 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -145.92 174.91 10.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.65 118.91 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -89.69 135.19 33.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -98.5 122.39 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -82.06 154.15 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 21' ' ' GLN . 6.8 p -121.14 -45.83 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.473 ' N ' HG13 ' A' ' 20' ' ' VAL . 41.1 mm-40 -100.37 152.51 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -51.91 -31.05 26.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -65.1 -47.45 77.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -68.3 166.22 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.823 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.47 143.36 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 p -96.58 136.12 37.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 13' ' ' THR . 17.3 p90 -131.76 147.49 66.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.687 0.756 . . . . 0.0 110.832 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 174.48 9.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.03 96.74 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.41 32.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.03 156.2 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -95.99 140.69 30.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.23 154.78 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.449 ' O ' HG12 ' A' ' 46' ' ' VAL . 2.2 mp0 -98.71 159.23 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.461 HG11 ' CG ' ' A' ' 38' ' ' LYS . 75.7 t -120.9 106.64 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.6 mt -76.84 -60.1 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -124.88 150.3 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 22.5 mtmm -135.34 123.06 22.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -94.07 138.7 31.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -47.96 -38.43 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.6 m -48.73 -59.44 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.1 -33.35 0.47 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -69.94 118.14 12.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.739 0.304 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.603 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 50.9 m0 -112.13 143.37 43.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CD1' ' CD1' ' A' ' 54' ' ' TRP . 2.6 t80 -84.92 109.15 17.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 34' ' ' GLN . 1.1 m -105.2 173.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -139.12 121.01 15.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -113.22 94.56 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.17 -99.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -115.22 -1.46 12.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 51' ' ' LEU . 3.8 mp -107.3 152.11 24.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -134.1 122.56 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.823 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -135.52 170.8 22.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.476 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 82.3 m95 -101.0 106.74 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.96 145.0 31.52 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.566 0.698 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.0 Cg_endo -69.75 148.37 64.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.425 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 98.1 p -70.19 -24.07 63.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -55.12 -39.46 69.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.6 m-85 -74.89 -38.68 61.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 mt -69.52 141.1 53.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 61' ' ' VAL . 16.7 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.811 0.339 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -102.94 135.83 43.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -117.28 170.85 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.677 ' O ' HG23 ' A' ' 61' ' ' VAL . 15.9 tpp -116.97 124.67 49.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.631 HG21 ' CD1' ' A' ' 27' ' ' PHE . 19.1 p -71.75 126.09 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.2 t -97.76 -0.94 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -159.68 152.89 22.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.24 113.49 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 1.1 t80 -95.02 144.97 25.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 8.4 tp60 -102.87 146.28 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -87.08 137.08 32.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 21' ' ' GLN . 20.1 m -90.09 -37.28 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 4.7 mt-30 -140.55 156.61 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -39.55 -34.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 m -59.04 -46.32 88.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 21' ' ' GLN . 42.7 mp0 -81.13 161.02 24.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.738 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -134.81 139.7 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -94.57 135.97 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.631 ' CD1' HG21 ' A' ' 13' ' ' THR . 5.8 p90 -129.08 151.54 77.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.75 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 168.21 22.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.9 100.58 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.72 35.08 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG21 ' HE2' ' A' ' 48' ' ' PHE . 3.6 m -131.64 171.68 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.323 . . . . 0.0 111.135 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 33' ' ' VAL . 28.7 tt0 -113.36 150.54 32.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 3.5 m -140.6 168.55 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -113.77 121.52 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.716 HG11 ' HE3' ' A' ' 38' ' ' LYS . 88.5 t -83.37 100.25 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.721 HD12 ' CD2' ' A' ' 45' ' ' TYR . 84.1 mt -68.09 -58.86 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -134.37 160.07 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.716 ' HE3' HG11 ' A' ' 35' ' ' VAL . 73.1 mttt -127.82 137.61 52.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' GLU . 42.8 mt-30 -110.04 122.21 47.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' GLN . 2.8 pp20? -37.67 -38.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -45.48 -58.08 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.4 -31.51 0.53 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.453 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 50.0 m95 -79.79 130.77 35.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 35.9 m0 -115.92 143.05 45.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.721 ' CD2' HD12 ' A' ' 36' ' ' LEU . 5.8 t80 -78.98 109.33 13.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -102.65 166.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -130.89 121.27 24.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.531 ' HE2' HG21 ' A' ' 31' ' ' VAL . 10.6 t80 -112.09 91.92 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.81 -109.15 2.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.04 -8.77 27.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 51' ' ' LEU . 3.0 mp -103.72 166.5 10.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -149.7 125.56 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.738 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.9 172.87 22.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 84.8 m95 -101.46 110.35 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.23 145.98 35.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.3 Cg_endo -69.77 140.88 43.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 60.8 p -63.04 -18.53 63.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -63.4 -37.16 86.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.0 m-85 -78.72 -32.95 47.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.2 mt -74.84 147.83 40.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 12' ' ' MET . 88.9 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.777 0.323 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -93.48 130.28 39.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -108.05 174.65 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.1 mmm -120.35 122.5 40.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -74.98 139.09 42.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 48.3 t -113.43 -11.19 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -146.66 150.4 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.39 112.91 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.16 134.87 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -98.32 132.26 43.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 131.33 34.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 21' ' ' GLN . 5.1 m -100.58 -9.55 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' HG3' HG23 ' A' ' 20' ' ' VAL . 21.1 mt-30 -135.0 163.42 29.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -63.81 -37.4 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.1 p -61.45 -41.98 98.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.23 165.17 25.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.804 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.23 140.99 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.5 p -96.33 136.73 36.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -131.68 153.56 81.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.05 19.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.748 2.299 . . . . 0.0 112.355 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.28 98.51 11.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.53 32.0 0.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 m -130.15 155.11 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 111.186 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -95.23 146.03 24.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -138.9 162.15 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -110.02 121.92 46.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.403 HG11 ' HE3' ' A' ' 38' ' ' LYS . 53.0 t -84.23 105.66 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 mt -75.46 -64.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -119.77 169.22 10.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 51.8 mttp -139.33 137.1 35.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -102.6 153.78 19.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.0 1.09 7.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 t -100.45 -9.99 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.34 -20.42 28.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 80.0 m95 -76.66 117.21 18.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.455 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 23.3 m0 -111.19 139.32 46.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.2 t80 -78.02 107.18 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.72 168.39 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -131.74 121.82 24.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -120.12 94.38 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.91 -109.81 2.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -112.46 33.19 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.8 157.31 43.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.492 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 23.9 mp0 -137.97 119.96 15.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.804 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -129.87 168.71 21.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 91.5 m95 -97.79 106.66 19.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.48 144.8 30.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.71 144.35 53.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.444 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 88.7 p -66.74 -21.6 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -61.99 -32.35 72.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -81.62 -40.98 22.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.84 147.63 52.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 14' ' ' CYS . 97.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.9 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.825 0.345 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 m -86.14 142.53 28.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CD1' ' CG2' ' A' ' 35' ' ' VAL . 9.4 m-85 -123.2 165.25 17.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.1 tpt -110.1 123.62 50.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 31' ' ' VAL . 8.1 p -81.45 130.36 35.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.177 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.95 -15.9 11.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.49 139.58 50.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.91 115.54 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 3.6 t80 -96.63 149.51 21.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.549 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 21.4 tp60 -107.07 139.97 40.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -80.22 125.24 29.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -79.39 -54.25 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -118.58 166.88 12.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -52.02 -29.77 22.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.3 m -68.53 -26.78 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 43.1 mp0 -90.07 163.53 14.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.856 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -139.5 139.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.6 p -92.8 135.76 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -131.85 144.19 52.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.692 0.758 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 172.65 12.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 107.05 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.57 21.14 1.3 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 13' ' ' THR . 30.7 m -120.54 151.84 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -96.85 141.89 29.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.64 -178.78 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -127.73 118.15 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.513 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 74.2 t -83.14 102.65 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' A' ' 45' ' ' TYR . 59.5 mt -67.53 -61.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -135.44 166.51 23.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 74.2 mttt -127.49 145.04 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -111.54 131.32 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -42.38 -38.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -52.05 -58.99 4.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.98 -13.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -87.34 123.24 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.534 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 28.5 m0 -108.68 141.91 39.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD2' HD12 ' A' ' 36' ' ' LEU . 2.9 t80 -82.71 108.2 15.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -106.57 169.05 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -134.3 121.42 21.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -114.79 96.49 5.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.37 -103.08 1.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -117.75 30.19 7.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 mt -144.05 142.76 30.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 10.6 mt-10 -124.15 122.19 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.856 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -136.64 162.65 25.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.557 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -90.25 116.49 28.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.52 147.13 44.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.694 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.514 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.9 Cg_endo -69.7 136.68 33.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.399 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.534 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 83.2 p -61.02 -30.69 70.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -54.66 -36.92 65.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 9.5 m-85 -81.0 -20.65 41.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.4 mt -92.93 136.41 33.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.495 HG22 ' CE1' ' A' ' 11' ' ' TYR . 58.2 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.788 0.327 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -96.25 131.5 42.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.495 ' CE1' HG22 ' A' ' 9' ' ' THR . 11.0 m-85 -114.72 172.41 7.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.426 ' CE ' ' HA2' ' A' ' 30' ' ' GLY . 5.7 tpt -112.85 127.13 56.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.56 HG21 ' CD1' ' A' ' 27' ' ' PHE . 50.9 p -76.49 124.67 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 p -100.25 -11.67 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 m -148.18 140.11 23.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.93 116.31 6.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 23.5 t80 -89.14 156.95 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 17' ' ' TYR . 54.8 tp60 -118.21 127.92 54.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -81.77 140.57 34.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -100.08 -53.96 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -100.09 155.47 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.75 -31.12 10.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 m -64.11 -41.27 97.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.42 167.94 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.837 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -143.5 140.56 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.138 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -94.33 135.53 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.56 ' CD1' HG21 ' A' ' 13' ' ' THR . 17.9 p90 -130.7 146.28 61.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 173.65 10.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.64 101.02 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.08 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.426 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 135.11 30.24 0.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 m -131.14 156.29 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -100.9 142.85 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.74 170.98 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -120.67 116.57 25.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.546 HG11 ' HZ3' ' A' ' 38' ' ' LYS . 65.3 t -75.57 101.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.47 -50.99 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -141.6 167.6 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.546 ' HZ3' HG11 ' A' ' 35' ' ' VAL . 21.6 mttm -135.13 130.28 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.2 136.14 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.82 -33.81 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -56.13 -72.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.13 -27.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 83.1 m95 -75.35 119.53 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.71 0.291 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 43.1 m0 -106.25 148.52 27.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.451 ' CD1' ' CE2' ' A' ' 54' ' ' TRP . 2.0 t80 -90.74 108.06 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -105.03 166.88 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.181 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -129.68 126.94 39.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -121.01 98.28 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.24 -96.21 0.79 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -123.93 15.59 9.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.8 mt -124.94 154.73 40.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 15.8 mt-10 -133.58 124.09 26.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.837 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.28 162.01 25.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 95.5 m95 -91.58 109.23 20.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.0 145.08 32.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.79 138.67 38.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.9 p -63.51 -10.12 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -70.12 -33.6 72.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.4 m-85 -81.96 -40.67 21.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 mt -68.58 142.03 55.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.3 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.41 HG22 ' CE1' ' A' ' 11' ' ' TYR . 54.4 m . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -83.69 132.74 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.41 ' CE1' HG22 ' A' ' 9' ' ' THR . 3.6 m-85 -113.42 161.0 17.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.444 ' HE1' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -104.11 115.69 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.479 HG22 HD23 ' A' ' 60' ' ' LEU . 24.7 p -73.64 128.72 36.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 31.3 p -107.64 -16.75 14.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.5 p -129.98 155.52 45.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.93 113.61 22.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.552 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 3.9 t80 -94.74 150.2 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 11.7 pt20 -111.59 144.5 40.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -81.09 129.27 34.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.438 HG13 ' HG2' ' A' ' 21' ' ' GLN . 11.4 p -86.95 -23.64 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' HG2' HG13 ' A' ' 20' ' ' VAL . 21.6 mm100 -145.43 169.42 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -53.82 -39.43 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -59.91 -46.53 89.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.14 163.5 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.742 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.02 139.13 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.6 p -92.15 134.72 34.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.474 ' CD1' HG21 ' A' ' 13' ' ' THR . 12.7 p90 -127.46 149.7 70.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.676 0.75 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 169.22 19.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.54 103.2 15.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' HE1' ' A' ' 12' ' ' MET . . . 132.66 26.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -128.2 157.38 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -97.28 140.15 32.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.0 m -130.33 171.53 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -121.41 117.48 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.8 t -82.94 102.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.11 -58.12 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -130.12 156.01 45.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 6.8 mtmp? -132.06 127.23 35.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -98.45 132.66 43.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -47.99 -36.65 13.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 m -46.39 -55.02 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.51 -37.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 75.4 m95 -73.97 128.68 36.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.585 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 49.2 m0 -113.93 149.71 34.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.418 ' CD1' ' CD1' ' A' ' 54' ' ' TRP . 3.5 t80 -87.32 111.4 21.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -107.11 167.72 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' CG ' ' HG2' ' A' ' 52' ' ' GLU . 34.6 ttt-85 -134.83 120.94 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -113.99 91.98 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.96 -114.04 5.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -94.1 -5.89 46.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 51' ' ' LEU . 2.6 mp -106.43 159.68 15.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HG2' ' CG ' ' A' ' 47' ' ' ARG . 30.2 mt-10 -148.19 123.21 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.742 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -139.09 174.0 22.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.418 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 79.6 m95 -96.93 113.09 24.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.744 0.307 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.65 145.1 34.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 43' ' ' TRP . 53.7 Cg_endo -69.76 145.87 58.43 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.585 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.1 p -72.4 -10.93 60.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -71.58 -29.48 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.477 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.9 m-85 -86.66 -28.11 23.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.479 HD23 HG22 ' A' ' 13' ' ' THR . 65.5 mt -79.59 141.67 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.43 ' CG2' ' HB3' ' A' ' 14' ' ' CYS . 96.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -158.64 110.6 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -85.46 99.22 11.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.52 57.16 0.64 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -151.46 157.31 42.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 p -89.43 32.14 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.82 79.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.07 169.81 12.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.371 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.5 m -135.81 129.9 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.0 p -88.39 132.43 34.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -115.73 165.89 12.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.556 ' O ' HG22 ' A' ' 61' ' ' VAL . 49.1 mmm -112.45 123.47 50.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -74.96 128.23 35.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.4 t -113.94 -9.28 13.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -142.86 130.64 21.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 114.38 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -94.52 143.3 26.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -109.19 122.36 47.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -67.3 135.94 54.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -99.51 -25.24 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -122.36 150.2 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -49.48 -26.63 3.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 m -72.76 -47.45 46.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.9 162.97 10.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.851 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -136.79 142.62 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.1 p -98.47 133.06 43.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -126.9 150.97 73.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 168.25 22.1 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.37 98.7 11.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.08 31.08 0.23 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 m -131.49 169.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' C ' ' OE1' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -108.66 147.98 31.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.3 m -140.13 152.75 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -105.4 122.68 46.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.457 HG11 ' CE ' ' A' ' 38' ' ' LYS . 38.4 t -83.02 102.15 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.8 mt -72.45 -61.94 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.42 178.52 4.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' CE ' HG11 ' A' ' 35' ' ' VAL . 85.4 mttt -151.75 123.58 8.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -91.91 156.1 17.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -81.17 5.79 15.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -100.78 -22.33 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.78 -10.67 8.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 74.5 m95 -93.02 115.57 28.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -106.98 147.76 29.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 52' ' ' GLU . 5.5 t80 -86.01 106.31 17.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -101.94 162.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 49' ' ' GLY . 65.4 ttt-85 -127.04 122.71 35.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -116.18 93.0 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.492 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . 75.51 -103.01 1.56 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.483 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -114.82 25.38 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -139.22 152.64 47.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 4.4 mp0 -135.06 123.45 23.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.851 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -135.33 161.33 24.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 89.1 m95 -90.29 108.49 19.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.69 145.99 34.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.71 137.8 36.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 p -62.54 -8.73 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -73.12 -39.16 65.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.805 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -76.45 -24.03 53.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.898 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.26 143.0 27.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 12' ' ' MET . 30.1 m -91.07 130.05 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.09 139.4 39.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.38 78.09 9.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -99.52 153.94 18.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -80.33 123.21 27.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.86 107.03 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -128.33 82.48 68.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.542 0.687 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 85.63 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -92.87 144.08 27.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -1.81 9.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.3 m 54.97 37.78 29.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.35 103.87 2.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -118.02 127.24 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.733 0.301 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -39.9 -38.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.4 p -141.15 167.6 21.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.61 -158.47 20.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 83.51 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.309 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.0 p -54.32 -176.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.6 m 55.73 42.53 29.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -85.63 160.84 19.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -43.39 115.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.0 -79.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 p -87.06 -33.44 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 m -104.56 100.81 10.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.91 -47.72 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.11 -176.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.461 HG22 ' CE1' ' A' ' 11' ' ' TYR . 89.3 m -143.23 113.67 7.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -84.35 134.91 34.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' CE1' HG22 ' A' ' 9' ' ' THR . 2.8 m-85 -114.23 168.68 9.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.667 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.4 tpt -116.1 123.91 49.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.51 HG21 ' CD1' ' A' ' 27' ' ' PHE . 20.7 p -71.61 125.48 27.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -94.5 -11.29 29.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -158.71 161.48 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.79 122.12 26.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -105.2 138.5 41.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.56 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 14.2 tm0? -94.39 151.25 19.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -100.71 113.82 27.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 21' ' ' GLN . 8.8 p -77.57 -43.77 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' N ' HG13 ' A' ' 20' ' ' VAL . 30.9 mt-30 -106.37 143.14 34.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -48.5 -32.78 8.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.1 m -61.81 -34.35 75.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.73 169.2 15.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.85 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -140.58 140.44 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.5 p -95.13 134.02 38.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.786 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.51 ' CD1' HG21 ' A' ' 13' ' ' THR . 8.0 p90 -125.65 148.2 61.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 172.05 13.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.53 103.1 15.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 129.77 30.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.442 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.3 m -132.28 148.87 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -86.7 149.8 24.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -141.04 153.57 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -105.88 134.77 48.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.641 HG11 ' HE3' ' A' ' 38' ' ' LYS . 53.4 t -99.28 111.25 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.8 mt -80.61 -63.19 1.46 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -123.12 169.27 11.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.641 ' HE3' HG11 ' A' ' 35' ' ' VAL . 44.4 mttp -141.16 143.36 34.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -113.86 131.23 56.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -40.49 -41.02 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.1 p -48.44 -48.45 37.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.77 -29.46 1.85 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 81.6 m95 -72.89 121.79 20.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.585 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 26.0 m0 -110.75 139.26 46.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 52' ' ' GLU . 4.2 t80 -76.78 106.28 8.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.69 170.34 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -136.11 122.5 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -119.25 94.27 4.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.59 -106.47 2.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -116.12 24.67 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -137.04 153.67 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 23.3 mp0 -132.52 121.94 24.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.85 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -136.1 156.08 22.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -81.95 106.31 13.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.729 0.299 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.18 144.62 29.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.74 143.75 51.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.585 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 60.4 p -69.25 -22.15 63.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -66.14 -40.8 90.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 21.6 m-85 -74.45 -9.41 58.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.7 mt -104.67 143.51 32.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 12' ' ' MET . 29.0 m -99.0 136.44 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -148.81 106.29 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' LEU . 2.7 t70 34.84 32.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' LEU . 11.9 tt0 -118.95 -65.14 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -50.41 -56.84 9.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -157.0 128.51 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -59.44 145.66 81.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 166.86 26.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.254 . . . . 0.0 112.326 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.45 80.65 6.19 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.591 0.71 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 149.69 67.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.365 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.1 m -77.94 -51.53 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.03 94.98 1.62 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -92.83 110.16 21.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -87.32 -53.31 4.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 64.0 m -126.18 134.66 51.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.88 -158.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -32.48 18.6 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.6 t -58.99 163.57 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.4 t -127.18 101.17 6.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -47.53 131.02 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 p -64.67 163.71 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.21 85.88 0.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -128.07 -59.94 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p 40.14 43.74 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.33 -117.52 0.46 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 35' ' ' VAL . . . -156.76 177.73 11.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.5 m -111.87 123.65 50.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -93.3 137.09 32.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -114.49 173.05 6.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 13' ' ' THR . 3.5 tpt -114.31 144.91 42.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' A' ' 12' ' ' MET . 25.9 p -96.11 122.49 39.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.16 -16.17 18.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -143.19 156.92 44.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.69 118.25 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -100.16 142.21 31.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -101.24 139.73 36.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -76.67 118.07 18.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.53 -47.21 78.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -122.67 168.2 12.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -51.58 -37.93 52.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -59.58 -49.29 78.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.34 164.79 12.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.831 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -140.56 140.16 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.4 p -93.88 135.64 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -128.63 145.52 56.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.66 0.743 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.2 19.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.304 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.84 102.19 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.7 29.96 0.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 m -133.92 160.36 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -105.91 144.21 32.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -128.68 163.63 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -111.72 121.12 44.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.53 HG11 ' HE3' ' A' ' 38' ' ' LYS . 87.5 t -81.74 116.26 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' A' ' 45' ' ' TYR . 39.8 mt -85.76 -61.77 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -131.73 155.8 47.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HE3' HG11 ' A' ' 35' ' ' VAL . 64.0 mttt -121.96 141.91 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -117.29 128.13 54.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -37.34 -47.66 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.7 p -41.23 -46.46 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.74 -31.66 2.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.412 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 80.2 m95 -70.64 116.92 11.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 36.0 m0 -104.43 140.42 37.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 4.1 t80 -81.68 110.45 17.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.1 m -107.28 169.64 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -131.13 121.02 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -118.6 91.98 3.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.04 -122.73 6.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -96.63 26.82 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.2 mt -142.31 159.57 41.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -140.34 125.58 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.831 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.76 166.73 25.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 83.1 m95 -95.53 114.18 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.03 145.91 35.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.1 Cg_endo -69.77 138.63 38.23 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.287 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.579 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 54.2 p -64.16 -16.59 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -64.1 -31.61 72.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 6.4 m-85 -84.18 -36.67 22.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.73 142.74 48.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.1 t -86.93 121.53 37.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.11 160.39 15.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.93 37.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 65' ' ' ASN . 2.6 pp20? -96.25 174.48 6.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' GLU . 4.1 t-20 -37.28 120.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.76 159.03 31.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -107.05 149.82 39.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.612 0.72 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 85.28 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -156.06 160.41 30.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 112.64 3.14 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -85.8 178.99 7.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -141.8 58.11 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 16.6 tptm -146.45 151.57 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 3.3 tp10 -119.38 142.74 47.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.7 p -168.67 157.3 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.43 173.26 26.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 126.35 13.23 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.626 2.218 . . . . 0.0 112.371 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.4 m -74.76 -60.14 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.4 p -48.31 127.8 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -135.96 146.95 47.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -73.9 105.09 5.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.92 58.29 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -115.63 86.39 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 p -75.48 122.23 23.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.16 158.98 14.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.48 171.04 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.7 m -124.38 130.22 52.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 t -92.61 132.99 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -115.56 176.75 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.972 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.437 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.7 ttm -123.38 130.91 53.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -81.93 129.86 34.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.418 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 31.6 p -101.68 -19.22 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -139.69 159.08 42.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.12 125.5 29.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -102.26 137.9 39.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -104.36 121.17 42.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 150.29 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 21' ' ' GLN . 11.5 p -110.32 -40.48 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 20' ' ' VAL . 61.2 mt-30 -112.53 150.78 30.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -46.67 -29.42 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m -65.64 -46.85 77.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 1.4 mp0 -72.27 161.79 30.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.852 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.3 140.72 41.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.9 p -91.97 131.0 37.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -125.81 147.63 59.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 170.75 15.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.58 109.38 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.02 30.99 1.05 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -128.26 151.04 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -93.32 144.02 25.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 m -134.37 173.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -123.71 120.91 34.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG11 ' NZ ' ' A' ' 38' ' ' LYS . 77.3 t -82.43 109.98 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 mt -81.27 -52.07 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -133.38 161.74 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 25.0 mttm -132.55 135.72 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -107.65 159.37 16.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' SER . 19.0 mt-10 -66.22 -60.42 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' GLU . 23.2 t -35.37 -41.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.67 22.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -111.26 118.77 36.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.509 ' HH2' HD13 ' A' ' 62' ' ' LEU . 26.0 m0 -110.93 140.79 45.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.569 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 4.2 t80 -86.57 107.32 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 m -101.56 170.86 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -134.3 123.45 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -115.32 93.26 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.59 -102.8 2.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.93 -3.36 14.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.551 ' N ' HD12 ' A' ' 51' ' ' LEU . 4.0 mp -106.47 166.23 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -145.58 123.38 11.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.852 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.45 159.08 24.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 92.5 m95 -88.1 117.09 26.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.787 0.327 . . . . 0.0 110.933 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.61 144.79 34.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.5 Cg_endo -69.79 144.44 53.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.9 p -67.67 -13.4 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -69.36 -28.19 65.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.5 m-85 -89.87 -40.31 12.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.2 137.38 54.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 12' ' ' MET . 95.4 t -84.76 118.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.509 HD13 ' HH2' ' A' ' 44' ' ' TRP . 1.8 pt? -137.17 142.97 42.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -47.9 -55.26 10.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -69.13 82.86 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -102.3 85.03 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -171.28 115.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -43.15 152.44 0.39 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.719 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.402 ' O ' ' HD3' ' A' ' 70' ' ' PRO . 53.4 Cg_endo -69.82 88.78 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -107.45 80.09 0.86 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 68' ' ' PRO . 53.8 Cg_endo -69.77 119.24 6.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.358 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 t -122.31 -48.47 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.15 79.6 0.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.13 45.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.737 0.303 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.68 100.72 13.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.4 m -81.96 -60.37 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.45 165.78 30.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 89.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.234 . . . . 0.0 112.305 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 62.2 m 40.22 40.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' GLY . 2.7 m -135.69 172.46 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -112.84 104.21 12.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -77.56 118.32 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.01 58.21 0.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 t -60.47 102.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 110.807 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -64.55 156.73 28.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.04 44.48 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.09 160.65 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.414 HG22 ' CE1' ' A' ' 11' ' ' TYR . 40.8 m -122.08 118.59 29.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.8 p -83.17 128.85 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.414 ' CE1' HG22 ' A' ' 9' ' ' THR . 4.3 m-85 -109.45 174.61 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.823 ' O ' HG22 ' A' ' 61' ' ' VAL . 48.0 mmm -119.91 124.73 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.3 p -70.72 131.66 44.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 23.9 t -99.16 -12.66 20.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -153.37 161.96 41.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.68 121.12 25.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.065 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 10.2 t80 -99.9 153.81 18.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.496 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 6.1 tt0 -117.97 142.14 47.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -90.94 142.56 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -105.14 -31.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -122.72 158.69 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -52.99 -25.03 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 m -71.66 -45.76 60.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.69 160.34 31.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.857 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.67 142.02 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.3 p -96.4 134.82 39.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -128.77 149.65 72.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 171.95 13.53 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.1 107.7 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.8 28.4 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.91 162.2 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.094 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -106.27 139.75 40.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 m -128.05 163.88 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -112.61 126.79 55.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.525 HG11 ' HE3' ' A' ' 38' ' ' LYS . 76.9 t -87.55 96.34 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.19 -48.93 74.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -144.65 165.2 28.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.525 ' HE3' HG11 ' A' ' 35' ' ' VAL . 84.9 mttt -133.25 150.89 51.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' GLU . 38.2 mt-30 -121.19 123.7 42.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' GLN . 3.2 tt0 -36.63 -43.28 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -44.49 -52.54 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.38 -30.06 1.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -75.58 124.47 27.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -109.78 150.64 28.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.544 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 3.2 t80 -92.31 105.96 18.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.07 161.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' CZ ' ' O ' ' A' ' 49' ' ' GLY . 1.2 tmt_? -127.16 122.61 34.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -116.24 101.0 8.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . . . 71.94 -99.29 0.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -122.1 27.69 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.4 mt -139.19 155.4 47.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -134.1 119.01 18.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.857 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -130.66 163.5 23.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 95.4 m95 -94.88 107.61 19.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.29 144.56 30.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.548 0.689 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.81 133.73 26.17 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -59.59 -11.61 5.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -67.67 -31.81 72.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 6.6 m-85 -85.93 -25.58 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 mt -81.93 143.56 31.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 12' ' ' MET . 33.0 m -97.06 125.92 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 64' ' ' GLU . 4.9 mp -101.45 103.74 14.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER 34.09 33.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.798 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 62' ' ' LEU . 3.6 tm-20 -73.4 -51.08 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -115.69 143.51 45.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.65 126.45 29.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -38.36 144.02 0.4 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.662 0.744 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 175.25 8.36 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -110.64 81.1 2.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.604 0.716 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.19 19.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.272 . . . . 0.0 112.347 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 m -169.21 170.35 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.79 59.71 1.06 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.17 135.27 51.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -130.36 142.3 50.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.8 p -96.63 -59.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.05 83.48 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 163.83 36.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -112.14 -178.98 3.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 m -74.99 138.16 42.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -68.72 126.48 29.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -131.86 -55.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 157.19 -51.02 0.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 21.4 t -36.57 -53.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -46.57 -50.27 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.24 -143.02 14.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.93 175.94 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.07 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 m -127.25 122.61 34.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.3 p -90.73 134.04 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.491 ' CE2' HD12 ' A' ' 62' ' ' LEU . 8.4 m-85 -114.98 174.01 6.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.815 ' O ' HG12 ' A' ' 61' ' ' VAL . 1.2 ttt -117.28 133.81 55.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 p -80.74 120.43 24.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.8 t -93.78 -12.08 29.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -147.92 157.02 43.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.89 111.67 18.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -94.73 136.71 34.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.585 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 3.0 pt20 -95.43 151.17 19.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -102.35 101.37 11.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -74.44 -23.96 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -115.8 150.98 36.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.69 -39.02 73.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 m -62.46 -41.54 98.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -72.89 160.94 31.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.846 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -134.3 140.26 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.9 p -94.55 135.21 36.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -130.11 148.47 69.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 173.14 11.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 110.58 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.03 32.94 1.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -130.49 147.3 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -85.81 150.28 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.25 158.36 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.95 155.88 18.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG11 ' HE3' ' A' ' 38' ' ' LYS . 96.8 t -117.58 99.04 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.2 mt -66.28 -55.02 18.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -138.86 165.32 27.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.488 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 43.3 mttp -132.65 137.74 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.03 125.28 50.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.71 -37.99 0.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 m -46.71 -50.89 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.03 -31.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.527 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 24.8 m95 -79.86 134.1 36.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.505 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 21.5 m0 -117.55 137.24 52.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CD1' ' CE2' ' A' ' 54' ' ' TRP . 4.5 t80 -72.7 105.37 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 m -101.26 173.0 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' CG ' ' HG2' ' A' ' 52' ' ' GLU . 58.3 ttp85 -139.97 121.96 15.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -117.25 98.26 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.05 -108.97 2.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.67 33.06 5.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.1 mt -147.56 145.88 29.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' CG ' ' A' ' 47' ' ' ARG . 49.6 mt-10 -126.06 122.31 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.846 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -132.79 167.01 23.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.572 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 90.4 m95 -98.14 115.78 28.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.54 145.55 39.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.71 138.3 37.64 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.734 2.289 . . . . 0.0 112.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.505 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 20.1 t -58.89 -30.17 67.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -53.38 -40.47 65.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.1 m-85 -73.92 -35.67 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.46 136.16 36.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.815 HG12 ' O ' ' A' ' 12' ' ' MET . 13.7 p -97.07 119.65 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.861 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.31 169.33 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -93.63 97.15 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 9.3 pt-20 -112.14 113.11 25.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m120 46.65 33.91 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -167.69 114.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.432 ' C ' ' HD3' ' A' ' 70' ' ' PRO . 27.9 mp0 -123.26 85.34 51.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.708 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 69' ' ' ASP . 53.5 Cg_endo -69.79 80.43 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 17.2 t70 35.19 52.23 1.46 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 69' ' ' ASP . 54.0 Cg_endo -69.74 134.78 28.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.221 . . . . 0.0 112.357 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.5 p -171.92 135.74 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -142.04 66.67 0.48 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -113.97 107.4 15.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -125.96 152.42 45.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 m -168.51 109.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.35 -96.26 0.37 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.7 Cg_endo -69.77 -46.59 1.16 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 77' ' ' PRO . 3.3 t -36.57 114.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.5 t -87.96 -60.2 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -86.82 174.63 8.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -130.86 121.62 25.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.71 86.71 1.74 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 23.1 m -120.72 117.24 26.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.6 m 36.79 43.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.5 122.27 25.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.432 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.82 175.16 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.6 m -123.92 126.69 46.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -95.9 141.3 29.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD1' HG23 ' A' ' 35' ' ' VAL . 5.9 m-85 -122.25 174.44 6.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 42.2 mmm -122.82 123.64 41.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.0 p -68.88 125.1 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 43.1 t -94.31 -17.28 22.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -144.9 171.92 13.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.59 132.75 35.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.539 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -120.27 140.34 51.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.539 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 8.7 pt20 -102.93 147.53 26.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -79.6 128.65 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.9 p -93.16 -24.38 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -138.27 152.33 48.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -47.58 -25.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -73.22 -41.77 63.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.482 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 14.7 mp0 -72.81 169.51 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.852 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -139.71 138.88 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.2 125.92 36.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 6.4 p90 -124.55 146.37 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 177.65 5.32 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -98.3 97.2 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.5 34.72 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.3 167.82 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -106.23 144.93 32.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.3 146.62 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -96.6 126.28 41.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.405 HG23 ' CD1' ' A' ' 11' ' ' TYR . 34.8 t -86.17 101.28 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 45' ' ' TYR . 21.5 mt -67.89 -59.4 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -141.73 167.48 22.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HE2' ' CE3' ' A' ' 44' ' ' TRP . 44.4 mttt -127.96 147.49 50.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -116.7 136.79 52.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -44.44 -47.71 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.2 p -42.1 -44.78 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.12 -23.9 3.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -77.14 128.3 34.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.72 0.295 . . . . 0.0 110.955 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.581 ' HH2' HD21 ' A' ' 62' ' ' LEU . 38.9 m0 -112.65 144.27 42.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CD2' HD12 ' A' ' 36' ' ' LEU . 3.1 t80 -83.54 108.04 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.01 161.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -123.78 124.78 43.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -115.32 97.97 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.63 -95.03 0.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -124.03 24.3 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.7 mt -134.8 161.99 33.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 18.1 mt-10 -139.45 114.3 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.852 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -129.51 156.56 21.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -82.61 106.27 14.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.64 144.96 31.33 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.693 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.5 Cg_endo -69.79 136.23 32.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.528 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 80.1 p -63.64 -16.68 61.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -65.98 -33.11 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.2 m-85 -83.96 -31.2 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.3 mt -74.19 158.6 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 14' ' ' CYS . 59.4 t -108.52 122.59 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.581 HD21 ' HH2' ' A' ' 44' ' ' TRP . 4.2 mp -100.84 100.96 11.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 t70 39.15 25.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' LEU . 22.0 tp10 -105.35 54.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -124.92 119.02 27.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLN . 58.2 mm-40 -85.46 95.65 9.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' GLU . 3.0 pt20 -37.14 146.76 0.23 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.575 0.702 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 151.31 69.34 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.403 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 70' ' ' PRO . 12.5 t70 -52.05 139.76 33.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.637 0.732 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 69' ' ' ASP . 54.0 Cg_endo -69.68 135.03 29.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -133.68 160.64 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.6 156.54 42.77 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -93.31 143.06 26.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.731 0.301 . . . . 0.0 110.866 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -65.64 92.66 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 m -77.3 153.22 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.19 153.47 21.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 86.83 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.0 m -56.06 -49.82 72.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -42.54 -61.48 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.502 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 50.16 42.61 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 t -119.07 -52.17 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.92 102.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -74.19 -50.84 17.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -132.55 134.43 44.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.16 -91.35 2.02 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.07 171.56 13.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 m -132.43 138.57 47.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.2 p -96.59 136.7 36.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -119.22 171.33 8.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.643 ' O ' HG22 ' A' ' 61' ' ' VAL . 24.9 mmm -114.59 135.91 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 p -85.1 119.12 25.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.4 t -94.63 -1.27 53.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -157.03 154.62 29.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.19 115.47 20.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CZ ' ' O ' ' A' ' 18' ' ' GLN . 3.5 t80 -93.73 152.85 18.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.538 ' O ' ' CZ ' ' A' ' 17' ' ' TYR . 10.7 tp-100 -114.06 140.68 48.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -82.55 125.92 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -84.85 -22.06 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -147.22 155.49 42.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -45.32 -35.35 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.3 m -59.16 -38.83 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 12.5 mp0 -84.83 164.29 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.798 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -135.84 139.55 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.2 p -98.19 129.04 44.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -123.37 156.5 63.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 168.36 21.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.18 104.77 17.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.13 32.98 0.56 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.437 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.4 m -132.4 157.05 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -94.51 145.66 24.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.5 m -136.46 168.43 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -115.57 130.11 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -92.6 99.29 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 ' CD2' ' A' ' 45' ' ' TYR . 88.1 mt -63.14 -52.11 63.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -147.34 161.04 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -124.41 138.82 54.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -108.25 125.51 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -42.28 -37.3 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.0 m -47.71 -55.8 8.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.45 -32.27 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -78.99 129.53 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 43.0 m0 -113.01 142.5 45.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.661 ' CD2' HD12 ' A' ' 36' ' ' LEU . 4.6 t80 -81.21 110.07 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.73 162.34 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -126.92 121.07 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -119.44 91.92 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.83 -130.43 14.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -87.39 30.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -148.05 155.62 41.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.521 ' OE1' HD11 ' A' ' 36' ' ' LEU . 26.1 mt-10 -137.84 126.83 24.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.798 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -136.46 167.77 24.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 92.1 m95 -96.0 109.99 22.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.84 146.39 35.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.527 0.679 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.76 141.51 45.45 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.354 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.417 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 77.0 p -66.41 -7.39 19.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -72.9 -33.72 66.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.7 m-85 -79.42 -25.26 42.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.1 mt -87.98 151.39 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 12' ' ' MET . 5.9 m -103.26 129.79 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 62' ' ' LEU . 5.4 mp -98.57 116.11 30.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.37 84.92 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -121.95 42.24 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -80.99 -49.65 10.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -95.21 142.16 27.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.22 145.73 0.47 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 127.67 14.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.65 2.233 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 70' ' ' PRO . 9.1 t70 -79.43 139.83 55.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.603 0.716 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 69' ' ' ASP . 53.7 Cg_endo -69.79 95.24 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 m -155.02 150.53 27.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.98 -100.65 0.76 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 pttt 41.69 43.13 2.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -110.66 155.29 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -48.79 158.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 153.46 82.95 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -173.69 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -166.43 155.15 10.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.0 m 52.46 42.11 31.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m -98.23 118.9 35.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.793 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -107.14 -45.37 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.07 -178.92 18.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -82.23 87.45 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -78.55 87.22 4.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.88 58.07 0.64 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.66 174.64 9.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.8 m -136.62 124.16 22.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -84.72 137.99 32.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -120.06 177.46 4.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.649 ' O ' HG23 ' A' ' 61' ' ' VAL . 14.2 mtp -119.1 137.41 53.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.414 HG21 ' CD1' ' A' ' 27' ' ' PHE . 69.8 p -85.55 129.28 34.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.9 t -93.79 -12.13 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -157.55 169.44 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.86 128.91 34.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -102.57 140.91 36.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -105.56 128.75 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 140.71 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.83 -38.31 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -109.68 157.72 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -54.87 -27.85 45.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -67.58 -51.54 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.78 162.28 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.799 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -138.12 139.5 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.1 p -93.66 134.5 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.414 ' CD1' HG21 ' A' ' 13' ' ' THR . 6.7 p90 -130.02 150.05 74.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.48 14.39 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.229 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.56 107.5 19.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.25 23.26 1.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.63 141.8 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -76.37 168.78 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.5 m -150.65 154.36 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -101.59 117.74 35.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.454 HG11 ' CE ' ' A' ' 38' ' ' LYS . 98.7 t -84.28 105.73 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.2 mt -77.98 -61.95 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -127.86 159.15 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' CE ' HG11 ' A' ' 35' ' ' VAL . 91.6 mttt -129.32 144.37 51.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -116.77 139.7 50.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -52.1 -42.93 63.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.5 p -45.41 -43.09 10.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.34 -18.37 3.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.489 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 81.0 m95 -82.45 122.57 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 44.1 m0 -111.26 142.46 43.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -85.49 107.05 17.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.75 164.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -127.71 121.19 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -112.84 94.84 5.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.35 -99.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -118.47 31.29 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 mt -143.33 156.44 44.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -138.22 116.47 11.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.799 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -130.65 165.01 22.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -92.73 114.06 26.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.1 149.28 46.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.582 0.706 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.7 132.97 24.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.376 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.518 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 16.2 t -58.41 -16.8 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -66.28 -34.19 77.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 5.4 m-85 -82.42 -26.54 32.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 57' ' ' SER . 49.5 mt -75.5 148.2 39.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 12' ' ' MET . 59.3 t -102.5 123.73 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 64' ' ' GLU . 4.1 mp -101.56 102.43 13.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER 34.18 33.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.586 ' HB3' HG13 ' A' ' 61' ' ' VAL . 9.1 tt0 -86.48 -48.16 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -100.38 127.62 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -166.19 174.7 8.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.433 ' CD ' ' H ' ' A' ' 67' ' ' GLN . 2.1 pm0 -66.89 147.29 99.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 96.18 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.12 148.41 12.06 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 91.77 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.3 t -45.35 166.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.93 -36.71 1.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -69.45 149.87 47.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -127.63 137.58 52.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.0 p -101.45 -5.17 25.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.13 146.4 3.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 158.49 56.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 t -103.94 164.44 11.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.7 p -103.99 -52.9 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.472 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -91.27 82.69 5.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -40.5 -54.87 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.96 178.35 17.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.538 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -131.57 149.12 52.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -121.4 42.4 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.11 -178.6 19.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.75 179.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.605 HG22 ' CE1' ' A' ' 11' ' ' TYR . 45.3 m -135.43 121.59 20.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 p -87.21 128.56 35.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CE1' HG22 ' A' ' 9' ' ' THR . 15.1 m-85 -112.3 172.56 6.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.2 mmm -117.18 128.07 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.782 HG21 ' CD2' ' A' ' 27' ' ' PHE . 25.9 p -73.29 125.98 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.6 t -95.21 -10.77 29.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m -153.24 160.62 42.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.09 122.17 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 56' ' ' PRO . 1.1 t80 -98.8 125.42 44.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -90.67 118.0 29.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -68.88 149.08 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.504 HG12 ' OE1' ' A' ' 24' ' ' GLU . 14.6 p -118.23 -22.63 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HG2' HG13 ' A' ' 20' ' ' VAL . 48.0 mm-40 -121.8 151.13 40.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -53.26 -31.8 45.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 m -66.3 -51.44 57.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.504 ' OE1' HG12 ' A' ' 20' ' ' VAL . 44.7 mt-10 -64.48 159.87 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.851 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -132.33 139.75 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -92.61 135.02 34.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.782 ' CD2' HG21 ' A' ' 13' ' ' THR . 13.1 p90 -130.64 147.6 66.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.687 0.756 . . . . 0.0 110.842 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 170.83 15.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.48 101.79 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.45 33.71 0.39 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -131.68 155.55 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -97.96 144.34 27.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 m -131.96 176.14 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -127.94 115.96 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.55 92.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.58 -47.42 85.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -148.84 155.07 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 14.1 mtmt -120.9 135.69 55.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -101.11 146.31 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.3 -35.55 75.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 m -51.78 -65.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 166.56 -32.78 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -78.25 131.61 37.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.725 0.298 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 43.3 m0 -113.46 150.64 32.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 3.7 t80 -88.43 106.71 18.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -99.91 172.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -139.32 120.92 15.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -116.66 95.28 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.53 -104.58 2.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -112.19 -4.62 14.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 51' ' ' LEU . 4.6 mp -104.23 159.03 16.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -138.91 123.94 18.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.851 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.24 170.92 23.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 90.5 m95 -99.54 107.43 19.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.52 146.06 32.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.77 128.36 15.91 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.387 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 p -54.48 -25.22 24.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -57.54 -34.46 69.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.7 m-85 -80.0 -36.35 36.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -70.95 152.19 43.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.9 t -99.41 97.18 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.621 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -99.07 161.96 13.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -64.06 80.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' ASN . 9.2 tp10 -106.11 156.05 18.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' GLU . 55.1 m-20 -35.74 -40.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -106.96 79.44 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -115.12 148.32 40.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.72 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -170.69 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.391 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -111.94 77.47 2.0 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.623 0.725 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.81 55.11 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' GLY . 39.4 t -87.73 119.22 27.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' SER . . . -36.13 110.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -68.58 139.78 55.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.783 0.325 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -40.31 127.27 2.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.0 m -65.65 90.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.06 148.54 18.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -37.85 8.6 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.5 m 45.9 48.9 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.6 m -81.09 135.7 35.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -81.29 -49.05 11.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.899 0.38 . . . . 0.0 110.843 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -60.65 85.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.61 -54.63 2.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -84.07 36.1 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -99.05 106.26 18.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.62 71.46 0.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.27 -175.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.8 m -124.59 126.15 45.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.152 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -94.81 136.56 34.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' A' ' 62' ' ' LEU . 10.1 m-85 -118.91 167.13 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.783 ' O ' HG12 ' A' ' 61' ' ' VAL . 93.4 mmm -112.22 129.95 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.448 HG21 ' CD2' ' A' ' 27' ' ' PHE . 19.0 p -80.06 111.18 16.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.167 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.8 t -86.33 -10.38 54.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -151.91 147.52 26.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' N ' ' HB2' ' A' ' 29' ' ' ALA . . . -72.89 130.84 41.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -102.93 143.94 31.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -107.13 120.58 42.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.33 131.04 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.59 -27.58 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -109.84 168.17 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -73.63 -32.47 64.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.8 m -65.55 -40.2 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -74.89 169.21 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.841 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -141.44 140.15 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 p -93.56 133.25 37.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.448 ' CD2' HG21 ' A' ' 13' ' ' THR . 7.7 p90 -125.5 153.36 72.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 170.25 16.97 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' HB2' ' N ' ' A' ' 16' ' ' ALA . . . -94.92 101.36 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.98 31.5 0.63 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.24 167.09 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 111.124 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -104.8 141.3 36.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.25 146.44 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -94.33 125.87 39.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -87.53 104.18 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.809 HD12 ' CD2' ' A' ' 45' ' ' TYR . 77.3 mt -67.34 -61.95 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -138.42 168.35 19.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -126.87 145.4 50.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -112.64 127.36 56.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -39.05 -38.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t -52.99 -47.67 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.914 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.86 -16.08 2.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 78.9 m95 -83.75 123.98 30.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.497 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 25.4 m0 -110.68 140.21 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.809 ' CD2' HD12 ' A' ' 36' ' ' LEU . 3.5 t80 -81.98 107.21 14.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.56 171.68 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -131.99 126.89 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -120.66 92.78 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.31 -100.21 1.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.527 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -119.25 34.23 5.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.9 mt -148.77 159.69 43.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 6.0 mp0 -139.88 124.9 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.841 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.77 162.32 25.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -87.03 109.54 19.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.73 144.07 28.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.585 0.707 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.532 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.8 128.56 16.17 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.497 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.3 p -56.76 -13.06 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -66.9 -33.32 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.532 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.0 m-85 -83.74 -38.4 21.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.58 136.91 45.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 12' ' ' MET . 12.6 p -93.78 126.44 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.843 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -95.89 100.82 12.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' LEU . 4.1 t0 35.08 33.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 10.8 tt0 -97.98 163.08 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' GLU . 23.2 m-20 -37.15 102.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.562 ' HG3' HG11 ' A' ' 61' ' ' VAL . 7.1 tm-20 -140.52 133.5 29.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -39.8 144.43 0.51 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 141.85 46.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -115.6 149.21 42.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -23.3 30.9 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.652 2.235 . . . . 0.0 112.374 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.6 p -42.84 -48.28 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.75 170.12 0.58 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.72 156.35 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.739 0.304 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -126.47 112.92 16.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -115.88 142.42 46.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.83 -158.15 13.28 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 134.41 27.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.283 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 t 73.34 34.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -38.87 135.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.1 p -111.66 166.9 10.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -59.79 130.68 47.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.63 117.87 5.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 p -107.34 148.04 29.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 m -77.19 88.01 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.31 47.81 1.0 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.54 -176.71 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.071 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.9 m -139.95 115.79 10.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.7 p -82.98 137.58 34.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -114.27 173.48 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 13' ' ' THR . 3.9 tpt -113.53 143.26 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 12' ' ' MET . 6.4 p -97.08 123.59 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.17 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.41 ' SG ' ' CG2' ' A' ' 61' ' ' VAL . 2.0 m -91.99 -22.87 19.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -141.49 159.56 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.17 126.44 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.501 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 2.9 t80 -103.96 141.89 35.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.501 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 57.6 tp60 -102.37 146.77 27.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -100.55 122.76 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.546 HG23 ' HG3' ' A' ' 21' ' ' GLN . 34.6 m -91.01 -29.6 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.546 ' HG3' HG23 ' A' ' 20' ' ' VAL . 10.9 mt-30 -115.23 152.09 33.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -53.53 -33.51 54.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 m -63.63 -49.93 71.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.4 ' OE1' HG22 ' A' ' 20' ' ' VAL . 96.3 mt-10 -68.81 162.41 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.85 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -136.7 144.06 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 p -97.11 130.88 44.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -125.07 148.82 61.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.85 15.54 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.11 99.99 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.62 29.9 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG21 ' HE2' ' A' ' 48' ' ' PHE . 17.0 m -129.49 167.4 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -109.35 151.34 26.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.69 166.66 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -113.78 120.65 41.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.74 HG11 ' HE3' ' A' ' 38' ' ' LYS . 77.4 t -82.86 106.43 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.66 -53.0 6.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -122.21 157.23 32.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.74 ' HE3' HG11 ' A' ' 35' ' ' VAL . 44.2 mttp -137.15 125.75 23.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' GLU . 12.0 mt-30 -97.17 118.46 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' GLN . 55.9 mt-10 -34.65 -38.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 m -49.68 -60.81 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.89 -25.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -79.59 129.31 34.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.752 0.31 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -117.24 143.99 45.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 5.3 t80 -82.27 105.83 13.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 m -101.63 169.15 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -130.0 122.48 28.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' HE2' HG21 ' A' ' 31' ' ' VAL . 43.0 t80 -118.55 107.01 13.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.62 -107.49 2.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -117.23 36.28 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 mt -149.21 167.66 25.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 49.9 mt-10 -141.1 123.35 15.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.85 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -132.76 154.92 21.34 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 45' ' ' TYR . 95.1 m95 -85.77 110.17 19.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.95 144.87 31.92 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.583 0.706 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.543 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.76 150.15 67.85 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -70.59 -28.11 64.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -54.64 -36.9 65.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 8.1 m-85 -81.34 -43.69 18.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.51 146.63 54.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.41 ' CG2' ' SG ' ' A' ' 14' ' ' CYS . 78.1 t -88.69 116.17 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 62' ' ' LEU . 5.9 mp -86.47 170.64 11.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -83.39 37.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -80.64 130.1 34.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -64.62 103.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -124.23 165.74 17.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -72.84 136.2 80.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.579 0.704 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.85 48.18 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -116.88 80.8 11.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.642 0.734 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 96.11 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.403 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -103.9 -49.7 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.23 152.84 28.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -87.57 133.01 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -102.29 82.64 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 p -63.29 -58.98 5.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.39 83.43 0.78 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -31.61 20.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t 45.46 51.74 9.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 t -131.06 104.75 7.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -71.51 107.77 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -107.02 166.9 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.71 107.69 3.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -106.23 86.28 2.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.368 . . . . 0.0 110.842 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -91.52 172.07 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.87 -69.86 0.3 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.34 170.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 m -132.79 126.55 32.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -88.33 141.2 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -121.55 168.64 11.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.652 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.1 tpt -112.47 124.5 52.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 27' ' ' PHE . 27.5 p -73.96 133.56 43.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.7 t -96.56 -19.67 18.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 t -151.96 165.86 33.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.87 130.6 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -109.16 145.57 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -109.79 126.97 54.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -69.59 145.46 52.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -106.39 -21.92 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -133.13 153.17 51.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -49.53 -25.6 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m -70.74 -45.3 65.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -71.62 164.61 25.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.836 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -137.91 138.83 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -91.2 130.51 37.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.471 ' CD1' HG21 ' A' ' 13' ' ' THR . 15.6 p90 -125.73 148.7 63.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.709 0.766 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 169.54 18.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.13 103.64 16.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.41 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 130.49 30.76 0.59 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -131.24 147.32 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -92.39 138.63 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.44 170.58 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -117.85 120.07 36.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG11 ' HE3' ' A' ' 38' ' ' LYS . 22.3 t -81.75 104.96 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' A' ' 45' ' ' TYR . 24.7 mt -70.61 -59.48 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -133.0 157.41 45.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HE3' HG11 ' A' ' 35' ' ' VAL . 65.3 mttt -123.58 142.56 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -114.26 128.86 56.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -45.0 -30.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 m -51.88 -50.34 61.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.62 -17.24 2.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -94.89 132.85 39.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 28.5 m0 -114.07 154.05 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.401 ' CD2' HD12 ' A' ' 36' ' ' LEU . 2.1 t80 -92.08 106.83 18.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -102.34 165.5 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -129.91 125.52 35.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -119.02 94.79 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.03 -99.53 1.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -122.64 24.65 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.2 mt -136.2 156.04 49.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -134.04 120.35 20.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.836 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -132.64 156.95 22.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -85.94 103.94 15.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.76 0.314 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.75 147.56 34.04 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.74 126.72 13.66 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -54.14 -20.93 7.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -66.54 -37.71 85.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 10.8 m-85 -80.01 -12.22 59.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.8 mt -95.54 137.4 34.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 12' ' ' MET . 27.2 t -92.84 129.38 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.735 ' N ' HD22 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -83.88 100.97 11.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' LEU . 8.6 t0 34.15 33.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 62' ' ' LEU . 15.6 mt-10 -120.77 -178.56 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' GLU . 21.7 m120 35.51 50.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -119.86 71.69 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -94.31 155.33 39.95 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 140.38 42.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.63 2.22 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -107.64 80.11 0.91 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.638 0.733 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -16.71 37.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.629 2.219 . . . . 0.0 112.373 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.1 p -62.63 84.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.76 105.94 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 97.84 10.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -60.35 132.45 53.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.7 p -63.24 143.69 57.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -108.66 146.29 16.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 157.39 60.5 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.6 t -141.2 138.41 33.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.1 p -81.67 156.2 25.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -127.21 174.21 9.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -172.83 154.96 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.22 177.47 14.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -107.48 175.03 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 p -96.26 143.17 27.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.58 -93.81 0.37 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.74 -175.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.916 0.389 . . . . 0.0 111.068 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.5 m -161.07 131.72 5.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -94.08 144.45 25.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.782 ' HE2' HD12 ' A' ' 62' ' ' LEU . 1.8 m-85 -123.27 171.94 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.531 ' O ' HG12 ' A' ' 61' ' ' VAL . 5.3 tpt -117.37 123.77 47.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.7 p -75.15 114.34 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.6 p -94.54 -13.19 26.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.497 ' OG ' ' CD2' ' A' ' 59' ' ' TYR . 38.4 p -138.78 163.12 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.02 113.75 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -90.3 153.85 20.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -122.72 122.44 38.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 133.14 44.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 21' ' ' GLN . 7.7 p -89.45 -43.24 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' N ' HG13 ' A' ' 20' ' ' VAL . 14.6 mm100 -117.47 170.16 8.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.97 -33.35 70.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 p -59.04 -48.47 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -74.5 167.4 21.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.765 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -141.05 139.17 33.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 p -91.25 133.43 35.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -127.99 145.41 55.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.46 21.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.79 100.5 12.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.67 32.71 0.31 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.67 149.99 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -92.77 145.59 24.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.91 175.47 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -127.42 116.42 20.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -76.39 101.96 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 45' ' ' TYR . 95.8 mt -69.33 -63.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -126.27 152.28 46.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 60.6 mttt -120.63 130.5 54.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -103.11 129.75 50.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -43.65 -36.74 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.9 m -48.23 -56.02 9.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.25 -26.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -82.48 132.03 35.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.309 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 20.0 m0 -116.73 138.99 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 7.6 t80 -75.24 106.48 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -98.33 170.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -134.85 121.09 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -119.07 91.96 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.95 -125.86 11.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -90.63 31.08 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.1 mt -148.55 156.0 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -142.13 126.51 17.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.765 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.02 171.78 22.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 94.2 m95 -97.21 115.14 27.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.67 148.74 46.76 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.6 Cg_endo -69.79 145.06 55.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.539 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 85.0 p -67.38 -21.36 65.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -60.46 -43.26 97.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.4 m-85 -70.74 -33.46 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.983 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.3 mt -83.36 139.45 33.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 12' ' ' MET . 11.6 p -99.63 124.94 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.791 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -87.33 106.76 18.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 64' ' ' GLU . 18.9 t0 -87.19 31.58 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' ASP . 4.2 pm0 -35.81 -35.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 63' ' ' ASP . 70.2 m-80 -39.14 -67.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -147.15 131.86 17.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -152.77 135.76 9.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.549 0.69 . . . . 0.0 110.943 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 134.44 28.02 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.315 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -130.17 80.06 71.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -47.75 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.266 . . . . 0.0 112.37 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.1 t -173.96 161.49 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.54 65.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -117.07 123.27 46.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -104.52 121.63 43.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -77.77 -47.55 18.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.23 -92.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 116.61 4.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' SER . 58.5 m -122.37 148.76 44.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' SER . 2.0 m -36.82 137.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -43.9 -48.22 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -169.99 158.95 7.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.57 86.5 1.61 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.6 m -112.48 -54.63 2.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m -81.53 99.55 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.18 -98.95 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.0 174.05 11.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -132.55 136.05 46.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.7 p -97.72 133.82 41.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -115.05 170.17 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.451 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 18.2 tpp -115.41 129.47 56.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.586 HG21 ' CD1' ' A' ' 27' ' ' PHE . 43.3 p -75.21 122.51 23.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.8 -24.34 26.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 t -145.92 174.91 10.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.65 118.91 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -89.69 135.19 33.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -98.5 122.39 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -82.06 154.15 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 21' ' ' GLN . 6.8 p -121.14 -45.83 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.473 ' N ' HG13 ' A' ' 20' ' ' VAL . 41.1 mm-40 -100.37 152.51 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -51.91 -31.05 26.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -65.1 -47.45 77.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -68.3 166.22 16.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.823 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.47 143.36 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 p -96.58 136.12 37.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 13' ' ' THR . 17.3 p90 -131.76 147.49 66.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.687 0.756 . . . . 0.0 110.832 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 174.48 9.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.03 96.74 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.41 32.98 0.17 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m -134.03 156.2 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -95.99 140.69 30.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.23 154.78 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' O ' HG12 ' A' ' 46' ' ' VAL . 2.2 mp0 -98.71 159.23 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.461 HG11 ' CG ' ' A' ' 38' ' ' LYS . 75.7 t -120.9 106.64 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.6 mt -76.84 -60.1 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -124.88 150.3 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 22.5 mtmm -135.34 123.06 22.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -94.07 138.7 31.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -47.96 -38.43 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.6 m -48.73 -59.44 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.1 -33.35 0.47 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -69.94 118.14 12.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.739 0.304 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.603 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 50.9 m0 -112.13 143.37 43.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CD1' ' CD1' ' A' ' 54' ' ' TRP . 2.6 t80 -84.92 109.15 17.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 34' ' ' GLN . 1.1 m -105.2 173.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -139.12 121.01 15.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -113.22 94.56 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.17 -99.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -115.22 -1.46 12.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 51' ' ' LEU . 3.8 mp -107.3 152.11 24.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -134.1 122.56 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.823 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -135.52 170.8 22.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.476 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 82.3 m95 -101.0 106.74 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.96 145.0 31.52 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.566 0.698 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.0 Cg_endo -69.75 148.37 64.98 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.425 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 98.1 p -70.19 -24.07 63.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -55.12 -39.46 69.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 7.6 m-85 -74.89 -38.68 61.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.7 mt -69.52 141.1 53.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 61' ' ' VAL . 16.7 m -97.64 127.16 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -144.99 121.21 10.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.33 37.8 3.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.45 113.24 1.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.17 40.83 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -124.64 152.33 43.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.439 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 10.1 tt0 -47.77 138.54 9.49 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.77 172.19 13.1 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -117.51 147.41 40.68 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.657 0.742 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 116.09 4.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 0.0 112.373 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.5 t -87.66 151.51 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.62 -112.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -165.06 138.77 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.409 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 5.0 pt-20 -110.15 146.38 35.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.9 m -140.64 148.57 41.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -108.79 -158.45 19.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.529 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 175.96 7.43 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -161.65 148.75 14.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.4 p 43.09 42.36 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.444 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -79.16 120.64 23.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 p -81.22 -53.18 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.26 -142.99 16.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.426 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -64.08 178.52 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -84.88 40.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.67 79.12 1.42 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.54 -175.65 3.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.8 m -117.99 135.18 54.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -102.94 135.83 43.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -117.28 170.85 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.677 ' O ' HG23 ' A' ' 61' ' ' VAL . 15.9 tpp -116.97 124.67 49.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.631 HG21 ' CD1' ' A' ' 27' ' ' PHE . 19.1 p -71.75 126.09 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.2 t -97.76 -0.94 44.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -159.68 152.89 22.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.24 113.49 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 1.1 t80 -95.02 144.97 25.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 8.4 tp60 -102.87 146.28 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -87.08 137.08 32.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 21' ' ' GLN . 20.1 m -90.09 -37.28 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 4.7 mt-30 -140.55 156.61 46.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -39.55 -34.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 m -59.04 -46.32 88.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 21' ' ' GLN . 42.7 mp0 -81.13 161.02 24.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.738 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -134.81 139.7 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -94.57 135.97 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.631 ' CD1' HG21 ' A' ' 13' ' ' THR . 5.8 p90 -129.08 151.54 77.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.75 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 168.21 22.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.9 100.58 13.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.72 35.08 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG21 ' HE2' ' A' ' 48' ' ' PHE . 3.6 m -131.64 171.68 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.323 . . . . 0.0 111.135 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 33' ' ' VAL . 28.7 tt0 -113.36 150.54 32.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' N ' ' HG2' ' A' ' 32' ' ' GLU . 3.5 m -140.6 168.55 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -113.77 121.52 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.716 HG11 ' HE3' ' A' ' 38' ' ' LYS . 88.5 t -83.37 100.25 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.721 HD12 ' CD2' ' A' ' 45' ' ' TYR . 84.1 mt -68.09 -58.86 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -134.37 160.07 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.716 ' HE3' HG11 ' A' ' 35' ' ' VAL . 73.1 mttt -127.82 137.61 52.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' GLU . 42.8 mt-30 -110.04 122.21 47.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' GLN . 2.8 pp20? -37.67 -38.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -45.48 -58.08 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.4 -31.51 0.53 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.448 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.453 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 50.0 m95 -79.79 130.77 35.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.729 0.299 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.532 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 35.9 m0 -115.92 143.05 45.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.721 ' CD2' HD12 ' A' ' 36' ' ' LEU . 5.8 t80 -78.98 109.33 13.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -102.65 166.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -130.89 121.27 24.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.531 ' HE2' HG21 ' A' ' 31' ' ' VAL . 10.6 t80 -112.09 91.92 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.81 -109.15 2.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.04 -8.77 27.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 51' ' ' LEU . 3.0 mp -103.72 166.5 10.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -149.7 125.56 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.738 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.9 172.87 22.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 45' ' ' TYR . 84.8 m95 -101.46 110.35 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -115.23 145.98 35.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.3 Cg_endo -69.77 140.88 43.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 60.8 p -63.04 -18.53 63.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -63.4 -37.16 86.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 3.0 m-85 -78.72 -32.95 47.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.2 mt -74.84 147.83 40.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 12' ' ' MET . 88.9 t -93.41 118.05 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mt -91.61 -176.73 4.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -83.87 95.2 8.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.3 156.54 36.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -46.62 99.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -150.89 134.0 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.5 146.82 6.42 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.615 0.721 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 165.51 30.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.35 149.61 38.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -7.33 20.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.328 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t -61.0 151.71 29.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.16 -85.11 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.535 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm 64.57 45.63 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.304 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.47 135.75 35.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -83.83 -48.71 9.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.32 146.28 15.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 145.47 57.35 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.644 2.229 . . . . 0.0 112.348 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 t -164.18 148.98 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.5 m -150.02 130.63 13.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.549 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 m -75.79 100.2 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 55.64 26.22 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.34 -65.49 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -104.04 157.46 17.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -166.79 142.22 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.41 -116.23 0.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.82 175.83 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -139.86 132.32 28.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -93.48 130.28 39.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -108.05 174.65 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.1 mmm -120.35 122.5 40.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -74.98 139.09 42.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 48.3 t -113.43 -11.19 13.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -146.66 150.4 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.39 112.91 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.16 134.87 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -98.32 132.26 43.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 131.33 34.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 21' ' ' GLN . 5.1 m -100.58 -9.55 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' HG3' HG23 ' A' ' 20' ' ' VAL . 21.1 mt-30 -135.0 163.42 29.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -63.81 -37.4 87.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.1 p -61.45 -41.98 98.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.23 165.17 25.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.804 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.23 140.99 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.5 p -96.33 136.73 36.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -131.68 153.56 81.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.05 19.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.748 2.299 . . . . 0.0 112.355 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.28 98.51 11.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.53 32.0 0.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 m -130.15 155.11 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.76 0.314 . . . . 0.0 111.186 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -95.23 146.03 24.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -138.9 162.15 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -110.02 121.92 46.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.403 HG11 ' HE3' ' A' ' 38' ' ' LYS . 53.0 t -84.23 105.66 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.4 mt -75.46 -64.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -119.77 169.22 10.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 51.8 mttp -139.33 137.1 35.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -102.6 153.78 19.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.0 1.09 7.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.2 t -100.45 -9.99 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.34 -20.42 28.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 80.0 m95 -76.66 117.21 18.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.455 ' CG ' ' HG2' ' A' ' 38' ' ' LYS . 23.3 m0 -111.19 139.32 46.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.2 t80 -78.02 107.18 10.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 m -102.72 168.39 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -131.74 121.82 24.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -120.12 94.38 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.91 -109.81 2.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -112.46 33.19 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.8 157.31 43.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 23.9 mp0 -137.97 119.96 15.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.804 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -129.87 168.71 21.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 91.5 m95 -97.79 106.66 19.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.48 144.8 30.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 54.1 Cg_endo -69.71 144.35 53.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.444 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 88.7 p -66.74 -21.6 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -61.99 -32.35 72.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -81.62 -40.98 22.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.84 147.63 52.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 14' ' ' CYS . 97.4 t -101.61 121.99 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -134.28 132.68 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -110.46 121.42 45.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -128.08 115.48 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -153.75 175.62 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -65.93 115.35 5.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -127.42 143.72 48.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.62 0.724 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 69' ' ' ASP . 53.8 Cg_endo -69.75 121.73 8.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.362 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 68' ' ' PRO . 10.7 t70 -32.84 96.22 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PRO . 53.9 Cg_endo -69.79 -165.63 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.242 . . . . 0.0 112.386 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 m -114.77 155.28 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.15 129.08 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -160.99 132.61 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -156.13 161.95 40.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.6 m -116.83 141.19 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.04 70.42 0.46 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.35 32.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.65 2.233 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -128.21 84.81 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.9 p -67.88 94.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -91.57 -60.11 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 m -43.8 -48.99 8.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.63 165.52 13.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -110.72 119.83 40.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 p -51.94 155.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.54 -164.84 16.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.49 -176.24 4.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.9 m -152.44 119.91 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 m -86.14 142.53 28.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' CD1' ' CG2' ' A' ' 35' ' ' VAL . 9.4 m-85 -123.2 165.25 17.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.1 tpt -110.1 123.62 50.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 31' ' ' VAL . 8.1 p -81.45 130.36 35.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.177 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.95 -15.9 11.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.49 139.58 50.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.91 115.54 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 3.6 t80 -96.63 149.51 21.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.549 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 21.4 tp60 -107.07 139.97 40.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -80.22 125.24 29.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -79.39 -54.25 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -118.58 166.88 12.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -52.02 -29.77 22.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.3 m -68.53 -26.78 65.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 43.1 mp0 -90.07 163.53 14.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.856 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -139.5 139.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.6 p -92.8 135.76 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -131.85 144.19 52.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.692 0.758 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 172.65 12.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 107.05 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.57 21.14 1.3 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 13' ' ' THR . 30.7 m -120.54 151.84 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -96.85 141.89 29.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.2 m -131.64 -178.78 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -127.73 118.15 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.513 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 74.2 t -83.14 102.65 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' A' ' 45' ' ' TYR . 59.5 mt -67.53 -61.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -135.44 166.51 23.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD3' ' CE2' ' A' ' 44' ' ' TRP . 74.2 mttt -127.49 145.04 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -111.54 131.32 55.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -42.38 -38.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -52.05 -58.99 4.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.98 -13.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -87.34 123.24 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.534 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 28.5 m0 -108.68 141.91 39.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.696 ' CD2' HD12 ' A' ' 36' ' ' LEU . 2.9 t80 -82.71 108.2 15.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -106.57 169.05 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -134.3 121.42 21.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -114.79 96.49 5.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.37 -103.08 1.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -117.75 30.19 7.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 mt -144.05 142.76 30.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 10.6 mt-10 -124.15 122.19 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.856 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -136.64 162.65 25.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.557 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -90.25 116.49 28.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.52 147.13 44.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.556 0.694 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.514 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.9 Cg_endo -69.7 136.68 33.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.399 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.534 ' HB3' ' CE2' ' A' ' 44' ' ' TRP . 83.2 p -61.02 -30.69 70.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -54.66 -36.92 65.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 9.5 m-85 -81.0 -20.65 41.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.4 mt -92.93 136.41 33.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -90.27 132.26 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -83.62 170.21 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -101.73 80.17 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -128.79 37.58 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -111.3 22.92 14.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -132.26 152.68 51.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -122.33 84.74 47.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.17 68.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.224 . . . . 0.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -78.05 151.51 78.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.618 0.723 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -177.04 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -168.44 176.76 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.19 49.49 0.92 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.31 110.09 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.731 0.301 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -106.63 -41.02 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.4 t -70.7 123.07 21.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.31 166.98 30.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 78' ' ' SER . 53.9 Cg_endo -69.75 132.7 23.91 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 77' ' ' PRO . 4.5 t -34.58 130.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.6 p -72.85 117.03 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 69' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -49.75 -44.57 48.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -94.34 55.18 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.05 112.67 4.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -143.56 137.41 28.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.838 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 p -100.56 141.62 33.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.66 -156.5 34.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 35' ' ' VAL . . . -94.07 -175.11 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.495 HG22 ' CE1' ' A' ' 11' ' ' TYR . 58.2 m -136.87 129.82 30.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -96.25 131.5 42.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.495 ' CE1' HG22 ' A' ' 9' ' ' THR . 11.0 m-85 -114.72 172.41 7.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.426 ' CE ' ' HA2' ' A' ' 30' ' ' GLY . 5.7 tpt -112.85 127.13 56.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.56 HG21 ' CD1' ' A' ' 27' ' ' PHE . 50.9 p -76.49 124.67 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.3 p -100.25 -11.67 20.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 m -148.18 140.11 23.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.93 116.31 6.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 23.5 t80 -89.14 156.95 18.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' N ' ' CG ' ' A' ' 17' ' ' TYR . 54.8 tp60 -118.21 127.92 54.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -81.77 140.57 34.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -100.08 -53.96 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -100.09 155.47 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.75 -31.12 10.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 m -64.11 -41.27 97.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.42 167.94 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.837 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -143.5 140.56 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.138 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -94.33 135.53 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.56 ' CD1' HG21 ' A' ' 13' ' ' THR . 17.9 p90 -130.7 146.28 61.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 173.65 10.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.64 101.02 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.08 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.426 ' HA2' ' CE ' ' A' ' 12' ' ' MET . . . 135.11 30.24 0.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 m -131.14 156.29 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -100.9 142.85 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.74 170.98 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -120.67 116.57 25.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.546 HG11 ' HZ3' ' A' ' 38' ' ' LYS . 65.3 t -75.57 101.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.47 -50.99 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -141.6 167.6 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.546 ' HZ3' HG11 ' A' ' 35' ' ' VAL . 21.6 mttm -135.13 130.28 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -100.2 136.14 40.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.82 -33.81 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -56.13 -72.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.13 -27.14 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 83.1 m95 -75.35 119.53 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.71 0.291 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.521 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 43.1 m0 -106.25 148.52 27.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.451 ' CD1' ' CE2' ' A' ' 54' ' ' TRP . 2.0 t80 -90.74 108.06 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.2 m -105.03 166.88 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.181 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -129.68 126.94 39.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -121.01 98.28 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.24 -96.21 0.79 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -123.93 15.59 9.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.8 mt -124.94 154.73 40.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 15.8 mt-10 -133.58 124.09 26.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.837 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -137.28 162.01 25.31 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CE2' ' CD1' ' A' ' 45' ' ' TYR . 95.5 m95 -91.58 109.23 20.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.0 145.08 32.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.4 Cg_endo -69.79 138.67 38.27 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.9 p -63.51 -10.12 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -70.12 -33.6 72.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.4 m-85 -81.96 -40.67 21.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 mt -68.58 142.03 55.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.3 t -91.51 94.46 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.072 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.717 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -89.85 116.76 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.04 14.63 26.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 46.01 52.54 9.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -57.7 124.84 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -145.48 144.11 30.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -127.03 143.59 47.46 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 94.21 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' O ' ' CA ' ' A' ' 1' ' ' GLY . 15.0 m-20 -154.49 143.65 14.99 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -42.34 3.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.1 m -48.03 151.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.58 67.84 1.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -68.02 119.24 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.309 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -158.41 155.0 27.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -89.84 174.95 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.26 147.29 4.71 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 145.01 56.27 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.1 m -142.63 149.91 39.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.7 p -161.47 152.13 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -63.02 119.1 8.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 p -49.22 121.97 5.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.57 -130.54 1.26 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -173.75 110.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.364 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 m -105.4 92.49 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.39 43.35 1.73 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.4 175.04 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.41 HG22 ' CE1' ' A' ' 11' ' ' TYR . 54.4 m -150.98 118.69 6.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -83.69 132.74 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.41 ' CE1' HG22 ' A' ' 9' ' ' THR . 3.6 m-85 -113.42 161.0 17.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.444 ' HE1' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -104.11 115.69 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.479 HG22 HD23 ' A' ' 60' ' ' LEU . 24.7 p -73.64 128.72 36.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 31.3 p -107.64 -16.75 14.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.5 p -129.98 155.52 45.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.93 113.61 22.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.552 ' CE1' ' O ' ' A' ' 18' ' ' GLN . 3.9 t80 -94.74 150.2 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 11.7 pt20 -111.59 144.5 40.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -81.09 129.27 34.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.438 HG13 ' HG2' ' A' ' 21' ' ' GLN . 11.4 p -86.95 -23.64 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' HG2' HG13 ' A' ' 20' ' ' VAL . 21.6 mm100 -145.43 169.42 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -53.82 -39.43 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.7 m -59.91 -46.53 89.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.14 163.5 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.742 HG22 ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -142.02 139.13 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.6 p -92.15 134.72 34.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.474 ' CD1' HG21 ' A' ' 13' ' ' THR . 12.7 p90 -127.46 149.7 70.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.676 0.75 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 169.22 19.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.54 103.2 15.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.444 ' HA2' ' HE1' ' A' ' 12' ' ' MET . . . 132.66 26.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -128.2 157.38 40.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -97.28 140.15 32.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.0 m -130.33 171.53 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -121.41 117.48 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.8 t -82.94 102.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.11 -58.12 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -130.12 156.01 45.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HD3' ' CE3' ' A' ' 44' ' ' TRP . 6.8 mtmp? -132.06 127.23 35.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -98.45 132.66 43.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -47.99 -36.65 13.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 m -46.39 -55.02 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.51 -37.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 56' ' ' PRO . 75.4 m95 -73.97 128.68 36.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.585 ' CH2' ' HB2' ' A' ' 57' ' ' SER . 49.2 m0 -113.93 149.71 34.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.418 ' CD1' ' CD1' ' A' ' 54' ' ' TRP . 3.5 t80 -87.32 111.4 21.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 m -107.11 167.72 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' CG ' ' HG2' ' A' ' 52' ' ' GLU . 34.6 ttt-85 -134.83 120.94 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -113.99 91.98 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.96 -114.04 5.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -94.1 -5.89 46.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 51' ' ' LEU . 2.6 mp -106.43 159.68 15.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HG2' ' CG ' ' A' ' 47' ' ' ARG . 30.2 mt-10 -148.19 123.21 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.742 ' HA3' HG22 ' A' ' 25' ' ' ILE . . . -139.09 174.0 22.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.418 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 79.6 m95 -96.93 113.09 24.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.744 0.307 . . . . 0.0 110.919 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.65 145.1 34.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 43' ' ' TRP . 53.7 Cg_endo -69.76 145.87 58.43 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.585 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . 53.1 p -72.4 -10.93 60.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -71.58 -29.48 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.477 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 4.9 m-85 -86.66 -28.11 23.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.479 HD23 HG22 ' A' ' 13' ' ' THR . 65.5 mt -79.59 141.67 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.43 ' CG2' ' HB3' ' A' ' 14' ' ' CYS . 96.4 t -97.03 123.04 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -129.98 103.18 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 39.69 27.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' LEU . 6.7 tp10 -119.28 94.84 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 72.3 47.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -137.67 176.91 8.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -107.68 144.04 28.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 148.72 65.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.99 143.62 4.6 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 153.48 69.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.392 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -137.07 169.84 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.49 91.75 0.16 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.97 155.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.744 0.307 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -139.66 171.29 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -59.71 169.98 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.48 147.52 8.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.9 3.36 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.327 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.5 p -147.59 134.66 20.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m 43.74 46.01 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 -179.981 . . . . . . . . 0 0 . 1 stop_ save_